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University of Bayreuth (46931)
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  - Faculty of Mathematics, Physics und Computer Science (7301)
    - Group Material Sciences (387)
      - Chair Crystallography (330)
        Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen (200)

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Number of items at this level: 330.

2021

Koemets, Egor ; Leonov, I. ; Bykov, Maxim ; Bykova, E. ; Chariton, Stella ; Aprilis, Georgios ; Fedotenko, Timofey ; Clément, S. ; Rouquette, J. ; Haines, J. ; Cerantola, V. ; Glazyrin, K. ; McCammon, Catherine ; Prakapenka, V. B. ; Hanfland, M. ; Liermann, H.-P. ; Svitlyk, V. ; Torchio, R. ; Rosa, A. D. ; Irifune, T. ; Ponomareva, A. V. ; Abrikosov, I. A. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Revealing the Complex Nature of Bonding in the Binary High-Pressure Compound FeO₂.
In: Physical Review Letters. Vol. 126 (March 2021) Issue 10 . - Art.Nr. 106001.
DOI: https://doi.org/10.1103/PhysRevLett.126.106001

Laniel, Dominique ; Binck, Jannes ; Winkler, Björn ; Vogel, Sebastian ; Fedotenko, Timofey ; Chariton, Stella ; Prakapenka, Vitali ; Milman, Victor ; Schnick, Wolfgang ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Synthesis, crystal structure and structure-property relations of strontium orthocarbonate, Sr₂CO₄.
In: Acta Crystallographica Section B. Vol. 77 (February 2021) Issue 1 . - pp. 131-137.
DOI: https://doi.org/10.1107/S2052520620016650

Laniel, Dominique ; Winkler, Björn ; Koemets, Egor ; Fedotenko, Timofey ; Chariton, Stella ; Milman, Victor ; Glazyrin, Konstantin ; Prakapenka, Vitali ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Nitrosonium nitrate (NO⁺NO₃⁻) structure solution using in situ single-crystal X-ray diffraction in a diamond anvil cell.
In: IUCrJ. Vol. 8 (2021) Issue 2 . - pp. 208-214.
DOI: https://doi.org/10.1107/S2052252521000075

Pakhomova, Anna ; Fuchs, Birgit ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Huppertz, Hubert:
Polymorphs of the Gadolinite-Type Borates ZrB₂O₅ and HfB₂O₅ Under Extreme Pressure.
In: Chemistry : a European Journal. Vol. 27 (2021) Issue 19 . - pp. 6007-6014.
DOI: https://doi.org/10.1002/chem.202005244

2020

Bykov, Maxim ; Fedotenko, Timofey ; Chariton, Stella ; Laniel, Dominique ; Glazyrin, Konstantin ; Hanfland, Michael ; Smith, Jesse S. ; Prakapenka, Vitali B. ; Mahmood, Mohammad F. ; Goncharov, Alexander F. ; Ponomareva, Alena V. ; Tasnádi, Ferenc ; Abrikosov, Alexei I. ; Masood, Talha Bin ; Hotz, Ingrid ; Rudenko, Alexander N. ; Katsnelson, Mikhail I. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Abrikosov, Igor A.:
High-pressure synthesis of Dirac materials : layered van der Waals bonded BeN₄ polymorph.
In: Physical Review Letters. (October 2020) .

Laniel, Dominique ; Winkler, Björn ; Bykova, Elena ; Fedotenko, Timofey ; Chariton, Stella ; Milman, Victor ; Bykov, Maxim ; Prakapenka, Vitali ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Novel sulfur hydrides synthesized at extreme conditions.
In: Physical Review B. Vol. 102 (October 2020) Issue 13 . - Art.Nr. 134109.
DOI: https://doi.org/10.1103/PhysRevB.102.134109

Meier, Thomas ; Trybel, Florian ; Criniti, Giacomo ; Laniel, Dominique ; Khandarkhaeva, Saiana ; Koemets, Egor ; Fedotenko, Timofey ; Glazyrin, Konstantin ; Hanfland, Michael ; Bykov, Maxim ; Steinle-Neumann, Gerd ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Proton mobility in metallic copper hydride from high-pressure nuclear magnetic resonance.
In: Physical Review B. Vol. 102 (October 2020) Issue 16 . - Art.Nr. 165109.
DOI: https://doi.org/10.1103/PhysRevB.102.165109

van Well, Natalija ; Ramakrishnan, Sitaram ; Beauvois, Ketty ; Qureshi, Navid ; Ressouche, Eric ; Skoulatos, Markos ; Georgii, Robert ; Zaharko, Oksana ; van Smaalen, Sander:
Magnetic‐Field‐Controlled Quantum Critical Points in the Triangular Antiferromagnetic Cs2CuCl4‐xBrx Mixed System.
In: Annalen der Physik. Vol. 532 (July 2020) Issue 7 . - No. 2000147.
DOI: https://doi.org/10.1002/andp.202000147

Ramakrishnan, Sitaram:
Charge-density-wave ordering in three-dimensional metallic compounds.
Bayreuth , 2020 . - 168 p.
( Doctoral thesis, 2020 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)
DOI: https://doi.org/10.15495/EPub_UBT_00004900

Vénosová, Barbora ; Koziskova, Julia ; Kožíšek, Jozef ; Herich, Peter ; Lušpai, Karol ; Petricek, Vaclav ; Hartung, Jens ; Müller, Mike ; Hübschle, Christian B. ; van Smaalen, Sander ; Bucinsky, Lukas:
Charge density of 4-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]thiazole-2(3H)-thione : A comprehensive multipole refinement, maximum entropy method and density functional theory study.
In: Acta Crystallographica Section B. Vol. 76 (June 2020) Issue 3 . - pp. 450-468.
DOI: https://doi.org/10.1107/S2052520620005533

Laniel, Dominique ; Winkler, Björn ; Fedotenko, Timofey ; Pakhomova, Anna ; Chariton, Stella ; Milman, Victor ; Prakapenka, Vitali ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
High-Pressure Polymeric Nitrogen Allotrope with the Black Phosphorus Structure.
In: Physical Review Letters. Vol. 124 (May 2020) Issue 21 . - Art.Nr. 216001.
DOI: https://doi.org/10.1103/PhysRevLett.124.216001

van Well, Natalija ; Bolte, Michael ; Eisele, Claudio ; Keller, Lukas ; Schefer, Jürg ; van Smaalen, Sander:
Mixed system Cs3Cu3Cl8-xBrxOH with weakly connected Cu-triangles.
In: Journal of Physics and Chemistry of Solids. Vol. 140 (May 2020) . - No. 109386.
DOI: https://doi.org/10.1016/j.jpcs.2020.109386

Yang, Zhengqiang ; Drew, Alan J. ; van Smaalen, Sander ; van Well, Natalija ; Pratt, Francis L. ; Stenning, Gavin B. G. ; Karim, Abid ; Rabia, Kaneez:
Multiple magnetic-phase transitions and critical behavior of charge-density wave compound TbTe3.
In: Journal of Physics: Condensed Matter. Vol. 32 (May 2020) Issue 30 . - No. 305801.
DOI: https://doi.org/10.1088/1361-648x/ab8425

Ramakrishnan, Sitaram ; Schönleber, Andreas ; Rekis, Toms ; van Well, Natalija ; Noohinejad, Leila ; van Smaalen, Sander ; Tolkiehn, Martin ; Paulmann, Carsten ; Bag, Biplab ; Thamizhavel, Arumugam ; Pal, Dilip ; Ramakrishnan, Srinivasan:
Unusual charge density wave transition and absence of magnetic ordering in \mathrmEr₂\mathrmIr₃\mathrmSi₅.
In: Physical Review B. Vol. 101 (February 2020) Issue 6 . - No. 060101.
DOI: https://doi.org/10.1103/PhysRevB.101.060101

Wang, Mengxia ; Zhang, Jian ; Wang, Zhengping ; Wang, Ci ; van Smaalen, Sander ; Xiao, Hang ; Chen, Xi ; Du, Chenlin ; Xu, Xinguang ; Tao, Xutang:
Broadband CrOCl Saturable Absorber with a Spectral Region Extension to 10.6 µm.
In: Advanced Optical Materials. Vol. 8 (January 2020) Issue 2 . - No. 1901446.
DOI: https://doi.org/10.1002/adom.201901446

Aprilis, Georgios ; Pakhomova, Anna ; Chariton, Stella ; Khandarkhaeva, Saiana ; Melai, Caterina ; Bykova, Elena ; Bykov, Maxim ; Fedotenko, Timofey ; Koemets, Egor ; McCammon, Catherine ; Chumakov, Aleksandr I. ; Hanfland, Michael ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
The Effect of Pulsed Laser Heating on the Stability of Ferropericlase at High Pressures.
In: Minerals. Vol. 10 (2020) Issue 6 .
DOI: https://doi.org/10.3390/min10060542

Bykov, Maxim ; Chariton, Stella ; Bykova, Elena ; Khandarkhaeva, Saiana ; Fedotenko, Timofey ; Ponomareva, Alena V. ; Tidholm, Johan ; Tasnádi, Ferenc ; Abrikosov, Igor A. ; Sedmak, Pavel ; Prakapenka, Vitali ; Hanfland, Michael ; Liermann, Hanns-Peter ; Mahmood, Mohammad ; Goncharov, Alexander F. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
High‐Pressure Synthesis of Metal–Inorganic Frameworks Hf₄N₂₀⋅N₂, WN₈⋅N₂, and Os₅N₂₈⋅3N₂ with Polymeric Nitrogen Linkers.
In: Angewandte Chemie International Edition. Vol. 59 (2020) Issue 26 . - pp. 10321-10326.
DOI: https://doi.org/10.1002/ange.202002487

Vogel, Sebastian ; Bykov, Maxim ; Bykova, Elena ; Wendl, Sebastian ; Kloß, Simon D. ; Pakhomova, Anna S. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Schnick, Wolfgang:
Nitride Spinel : An Ultraincompressible High-Pressure Form of BeP₂N₄.
In: Angewandte Chemie International Edition. Vol. 59 (2020) Issue 7 . - pp. 2730-2734.
DOI: https://doi.org/10.1002/anie.201910998

Khandarkhaeva, Saiana ; Fedotenko, Timofey ; Bykov, Maxim ; Bykova, Elena ; Chariton, Stella ; Sedmak, Pavel ; Glazyrin, Konstantin ; Prakapenka, Vitali ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Novel Rhenium Carbides at 200 GPa.
In: European Journal of Inorganic Chemistry. Vol. 2020 (2020) Issue 22 . - pp. 2186-2190.
DOI: https://doi.org/10.1002/ejic.202000252

Meier, Thomas ; Laniel, Dominique ; Pena-Alvarez, Miriam ; Trybel, Florian ; Khandarkhaeva, Saiana ; Krupp, Alena ; Jacobs, Jeroen ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Nuclear spin coupling crossover in dense molecular hydrogen.
In: Nature Communications. Vol. 11 (2020) Issue 1 . - No. 6334.
DOI: https://doi.org/10.15495/EPub_UBT_00005335

Rekis, Toms ; Schönleber, Andreas ; van Smaalen, Sander:
On the puzzling case of sodium saccharinate 1.875-hydrate : structure description in (3+1)-dimensional superspace.
In: Acta Crystallographica Section B. Vol. 76 (2020) Issue 1 . - pp. 18-27.
DOI: https://doi.org/10.1107/S2052520619014938

Millot, Marius ; Zhang, Shuai ; Fratanduono, Dayne E. ; Coppari, Federica ; Hamel, Sebastien ; Militzer, Burkhard ; Simonova, Dariia ; Shcheka, Svyatoslav ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Eggert, Jon H.:
Recreating giants impacts in the laboratory : Shock compression of MgSiO₃ bridgmanite to 14 Mbar.
In: Geophysical Research Letters. Vol. 47 (2020) Issue 4 .
DOI: https://doi.org/10.1029/2019GL085476

Simonova, Dariia ; Bykova, Elena ; Bykov, Maxim ; Kawazoe, Takaaki ; Simonov, Arkadiy ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Structural Study of δ-AlOOH Up to 29 GPa.
In: Minerals. Vol. 10 (2020) Issue 12 .
DOI: https://doi.org/10.3390/min10121055

Fedotenko, Timofey ; Dubrovinsky, Leonid ; Khandarkhaeva, Saiana ; Chariton, Stella ; Koemets, Egor ; Koemets, Iuliia ; Hanfland, M. ; Dubrovinskaia, Natalia:
Synthesis of palladium carbides and palladium hydride in laser heated diamond anvil cells.
In: Journal of Alloys and Compounds. Vol. 844 (2020) . - Art.Nr. 156179.
DOI: https://doi.org/10.1016/j.jallcom.2020.156179

2019

Welsch, Johannes ; Ramakrishnan, Sitaram ; Eisele, Claudio ; van Well, Natalija ; Schönleber, Andreas ; van Smaalen, Sander ; Matteppanavar, Shidaling ; Thamizhavel, Arumugam ; Tolkiehn, Martin ; Paulmann, Carsten ; Ramakrishnan, Srinivasan:
Second-order charge-density-wave transition in single crystals of \mathrmLa₃\mathrmCo₄\mathrmSn₁₃.
In: Physical Review Materials. Vol. 3 (December 2019) Issue 12 . - No. 125003.
DOI: https://doi.org/10.1103/PhysRevMaterials.3.125003

van Well, Natalija ; Eisele, Claudio ; Ramakrishnan, Sitaram ; Shang, Tian ; Medarde, Marisa ; Cervellino, Antonio ; Skoulatos, Markos ; Georgii, Robert ; van Smaalen, Sander:
Tetragonal Mixed System Cs2CuCl4–xBrx Complemented by the Tetragonal Phase Realization of Cs2CuCl4.
In: Crystal Growth & Design. Vol. 19 (6 November 2019) Issue 11 . - pp. 6627-6635.
DOI: https://doi.org/10.1021/acs.cgd.9b01035

Jönsson, H. Johan M. ; Ekholm, Marcus ; Bykov, Maxim ; Dubrovinsky, Leonid ; van Smaalen, Sander ; Abrikosov, Igor A.:
Inverse pressure-induced Mott transition in \mathrmTiPO₄.
In: Physical Review B. Vol. 99 (June 2019) Issue 24 . - No. 245132.
DOI: https://doi.org/10.1103/PhysRevB.99.245132

Ramakrishnan, Sitaram ; Schönleber, Andreas ; Hübschle, Christian B. ; Eisele, Claudio ; Schaller, Achim M. ; Rekis, Toms ; Bui, Nguyen Hai An ; Feulner, Florian ; van Smaalen, Sander ; Bag, Biplab ; Ramakrishnan, Srinivasan ; Tolkiehn, Martin ; Paulmann, Carsten:
Charge density wave and lock-in transitions of \mathrmCuV₂\mathrmS₄.
In: Physical Review B. Vol. 99 (May 2019) Issue 19 . - No. 195140.
DOI: https://doi.org/10.1103/PhysRevB.99.195140

Ekholm, Marcus ; Schönleber, Andreas ; van Smaalen, Sander:
The role of magnetic order in VOCl.
In: Journal of Physics: Condensed Matter. Vol. 31 (May 2019) Issue 32 . - No. 325502.
DOI: https://doi.org/10.1088/1361-648x/ab1eff

Bykov, Maxim ; Chariton, Stella ; Fei, Hongzhan ; Fedotenko, Timofey ; Aprilis, Georgios ; Ponomareva, Alena V. ; Tasnádi, Ferenc ; Abrikosov, Igor A. ; Merle, Benoit ; Feldner, Patrick ; Vogel, Sebastian ; Schnick, Wolfgang ; Prakapenka, Vitali B. ; Greenberg, Eran ; Hanfland, Michael ; Pakhomova, Anna ; Liermann, Hanns-Peter ; Katsura, Tomoo ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re₂(N₂)(N)₂ stable at ambient conditions.
In: Nature Communications. Vol. 10 (25 February 2019) . - Art.Nr. 2994.
DOI: https://doi.org/10.1038/s41467-019-10995-3

Jönsson, H. Johan M. ; Ekholm, Marcus ; Bykov, Maxim ; Dubrovinsky, Leonid ; van Smaalen, Sander ; Abrikosov, Igor A.:
Inverse pressure-induced Mott transition in TiPO₄.
In: Physical Review B. Vol. 99 (2019) Issue 24 . - Art.Nr. 245132.
DOI: https://doi.org/10.1103/PhysRevB.99.245132

Collings, Ines E. ; Vasiukov, Denis M. ; McCammon, Catherine ; Dubrovinsky, Leonid ; Cerantola, Valerio ; Petitgirard, Sylvain ; Hübschle, Christian B. ; Schönleber, Andreas ; Chernyshov, Dmitry ; van Smaalen, Sander ; Dubrovinskaia, Natalia:
Local Structure of Ferroic Iron Formates at Low Temperature and High Pressure Studied by Mössbauer Spectroscopy.
In: The Journal of Physical Chemistry C. Vol. 123 (2019) Issue 35 . - pp. 21676-21684.
DOI: https://doi.org/10.1021/acs.jpcc.9b04749

2018

van Well, Natalija ; Zaharko, Oksana ; Delley, Bernard ; Skoulatos, Markos ; Georgii, Robert ; van Smaalen, Sander ; Rüegg, Christian:
Magnetic Phase Diagram of the Triangular Antiferromagnetic Cs₂CuCl₄−ₓBrₓ Mixed System.
In: Annalen der Physik. Vol. 530 (21 October 2018) Issue 12 . - Art.Nr. 1800270.
DOI: https://doi.org/10.1002/andp.201800270

Matteppanavar, Shidaling ; Bui, Nguyen Hai An ; van Smaalen, Sander ; Thamizhavel, Arumugam ; Ramakrishnan, Srinivasan:
An unusual metallic behavior in a Ag4SSe single crystal.
In: DAE Solid State Physics Symposium 2017. - Melville Park, NY : AIP Publishing, 2018 . - p. 130001 . - 5 S. . - (AIP Conference Proceedings ; 1942 )
DOI: https://doi.org/10.1063/1.5029071

Dey, Somnath ; Schönleber, Andreas ; Mondal, Swastik ; Ali, Sk Imran ; van Smaalen, Sander:
Role of Steric Hindrance in the Crystal Packing of Z' = 4 Superstructure of Trimethyltin Hydroxide.
In: Crystal Growth & Design. Vol. 18 (7 March 2018) Issue 3 . - pp. 1394-1400. - 7 S..
DOI: https://doi.org/10.1021/acs.cgd.7b01295

Abdelbagi, Mohamed E. M. ; Milius, Wolfgang ; Mondal, Swastik ; van Smaalen, Sander ; Alt, Helmut G.:
1,2-Bis(dimethylsilyl)phenylidene bridged zirconocene and hafnocene dichloride complexes as precatalysts for ethylene polymerization.
In: Journal of Organometallic Chemistry. Vol. 854 (1 January 2018) . - pp. 76-86.
DOI: https://doi.org/10.1016/j.jorganchem.2017.11.010

Abdelbagi, Mohamed E. M. ; Mondal, Swastik ; van Smaalen, Sander ; Alt, Helmut G.:
2,2'-Bis(methylene)biphenylidene-bridged bis(3-indenyl)dichloride complexes of Ti, Zr and Hf as catalyst precursors for ethylene polymerization.
In: Polyhedron. Vol. 144 (2018) . - pp. 176-186.
DOI: https://doi.org/10.1016/j.poly.2018.01.015

Collings, Ines E. ; Bykov, Maxim ; Bykova, Elena ; Hanfland, Michael ; van Smaalen, Sander ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Disorder–order transitions in the perovskite metal–organic frameworks [(CH₃)₂NH₂][M(HCOO)₃] at high pressure.
In: CrystEngComm. Vol. 20 (2018) Issue 25 . - pp. 3512-3521.
DOI: https://doi.org/10.1039/C8CE00617B

Hübschle, Christian B. ; van Smaalen, Sander:
Electrostatic potential in crystals of α-boron, γ-boron and boron carbide.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 233 (2018) Issue 9-10 . - pp. 663-673.
DOI: https://doi.org/10.1515/zkri-2018-2080

Meier, Tobias ; Gujar, Tanaji P. ; Schönleber, Andreas ; Olthof, Selina ; Meerholz, Klaus ; van Smaalen, Sander ; Panzer, Fabian ; Thelakkat, Mukundan ; Köhler, Anna:
Impact of excess PbI₂ on the structure and the temperature dependent optical properties of methylammonium lead iodide perovskites.
In: Journal of Materials Chemistry C. Vol. 6 (2018) Issue 28 . - pp. 7512-7519.
DOI: https://doi.org/10.1039/C8TC02237B

Vasiukov, Denis:
Iron electronic states in minerals of the Earth’s mantle.
Bayreuth , 2018 . - Getr. Zählung
( Doctoral thesis, 2018 , Universität Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)

Hübschle, Christian B. ; Ruhmlieb, Charlotte ; Burkhardt, Anja ; van Smaalen, Sander ; Dittrich, Birger:
On avoiding negative electron density in Gram-Charlier refinements of anharmonic motion : The example of glutathione.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 233 (2018) Issue 9-10 . - pp. 695-706.
DOI: https://doi.org/10.1515/zkri-2018-2060

Collings, Ines E. ; Manna, Rudra Sekhar ; Tsirlin, Alexander A. ; Bykov, Maxim ; Bykova, Elena ; Hanfland, Michael ; Gegenwart, Philipp ; van Smaalen, Sander ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
In: Physical Chemistry Chemical Physics. Vol. 20 (2018) Issue 37 . - pp. 24465-24476.
DOI: https://doi.org/10.1039/C8CP03761B

Bessas, D. ; Glazyrin, Konstantin ; Ellis, D. S. ; Kantor, I. ; Merkel, Dániel Géza ; Cerantola, V. ; Potapkin, Vasily ; van Smaalen, Sander ; Baron, A. Q. R. ; Hermann, R. P.:
Pressure-mediated structural transitions in bulk EuTiO₃.
In: Physical Review B. Vol. 98 (2018) Issue 5 . - Art.Nr. 054105.
DOI: https://doi.org/10.1103/PhysRevB.98.054105

Gujar, Tanaji P. ; Unger, Thomas ; Schönleber, Andreas ; Fried, Martina ; Panzer, Fabian ; van Smaalen, Sander ; Köhler, Anna ; Thelakkat, Mukundan:
The role of PbI2 in CH3NH3PbI3 perovskite stability, solar cell parameters and device degradation.
In: Physical Chemistry Chemical Physics. Vol. 20 (2018) Issue 1 . - pp. 605-614.
DOI: https://doi.org/10.1039/C7CP04749E

Bykov, Maxim ; Khandarkhaeva, Saiana ; Fedotenko, Timofey ; Sedmak, Pavel ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Synthesis of FeN₄ at 180 GPa and its crystal structure from a submicron-sized grain.
In: Acta Crystallographica Section E. Vol. 74 (2018) Issue 10 . - pp. 1392-1395.
DOI: https://doi.org/10.1107/S2056989018012161

Matteppanavar, Shidaling ; Bui, Nguyen Hai An ; Ramakrishnan, Srinivasan ; Vagadia, Megha ; Thamizhavel, Arumugam ; Paul, Arpita ; Waghmare, Umesh V. ; Schönleber, Andreas ; van Smaalen, Sander:
Unusual electronic properties of a low-temperature phase of Ag₄SSe.
In: Physical Review Materials. Vol. 2 (2018) Issue 11 . - Art.Nr. 113606.
DOI: https://doi.org/10.1103/PhysRevMaterials.2.113606

2017

Rochert, Anna S. ; Rösken, Liz M. ; Fischer, Christian B. ; Schönleber, Andreas ; Ecker, Dennis ; van Smaalen, Sander ; Geimer, Stefan ; Wehner, Stefan:
Bioselective synthesis of gold nanoparticles from diluted mixed Au, Ir, and Rh ion solution by Anabaena cylindrica.
In: Journal of Nanoparticle Research. Vol. 19 (24 October 2017) Issue 11 . - p. 355. - 15 S..
DOI: https://doi.org/10.1007/s11051-017-4039-8

Noohinejad, Leila ; van Smaalen, Sander ; Petricek, Vaclav ; Schönleber, Andreas:
Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.
In: Acta Crystallographica Section B. Vol. 73 (October 2017) Issue 5 . - pp. 836-843.
DOI: https://doi.org/10.1107/S2052520617009398

Ramakrishnan, Srinivasan ; van Smaalen, Sander:
Unusual ground states in R5T4X10(R = rare earth; T = Rh, Ir; and X = Si, Ge, Sn) : a review.
In: Reports on Progress in Physics. Vol. 80 (September 2017) Issue 11 . - p. 116501. - 41 S..
DOI: https://doi.org/10.1088/1361-6633/aa7d5f

Thomson, M. D. ; Rabia, K. ; Meng, F. ; Bykov, Maxim ; van Smaalen, Sander ; Roskos, H. G.:
Phase-channel dynamics reveal the role of impurities and screening in a quasi-one-dimensional charge-density wave system.
In: Scientific Reports. Vol. 7 (17 May 2017) Issue 1 . - 9 S..
DOI: https://doi.org/10.1038/s41598-017-02198-x

Dey, Somnath:
Modulated phases in organic molecular crystals.
Bayreuth , 2017 . - 160 p.
( Doctoral thesis, 2017 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Hübschle, Christian B. ; van Smaalen, Sander:
Electrostatic potential of dynamic charge densities.
In: Journal of Applied Crystallography. Vol. 50 (2017) Issue 6 . - pp. 1627-1636.
DOI: https://doi.org/10.1107/S1600576717013802

Chuvashova, Irina ; Bykova, Elena ; Bykov, Maxim ; Svitlyk, Volodymyr ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Structural stability and mechanism of compression of stoichiometric B13C2 up to 68GPa.
In: Scientific Reports. Vol. 7 (2017) Issue 1 . - Article number: 8969.
DOI: https://doi.org/10.1038/s41598-017-09012-8

2016

Noohinejad, Leila:
Aperiodic Molecular Ferroelectric Crystals.
Bayreuth , 2016 . - VIII, 121 p.
( Doctoral thesis, 2016 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Bykov, Maxim ; Bykova, Elena ; Hanfland, Michael ; Liermann, Hanns-Peter ; Kremer, Reinhard K. ; Glaum, Robert ; Dubrovinsky, Leonid ; van Smaalen, Sander:
High-Pressure Phase Transformations in TiPO₄ : A Route to Pentacoordinated Phosphorus.
In: Angewandte Chemie International Edition. Vol. 55 (November 2016) Issue 48 . - pp. 15053-15057.
DOI: https://doi.org/10.1002/anie.201608530

Ovsyannikov, Sergey V. ; Bykov, Maxim ; Bykova, Elena ; Kozlenko, Denis P. ; Tsirlin, Alexander A. ; Karkin, Alexander E. ; Shchennikov, Vladimir V. ; Kichanov, Sergey E. ; Gou, Huiyang ; Abakumov, Artem M. ; Egoavil, Ricardo ; Verbeeck, Johan ; McCammon, Catherine ; Dyadkin, Vadim ; Chernyshov, Dmitry ; van Smaalen, Sander ; Dubrovinsky, Leonid:
Charge-ordering transition in iron oxide Fe₄O₅ involving competing dimer and trimer formation.
In: Nature Chemistry. Vol. 8 (May 2016) Issue 5 . - pp. 501-508.
DOI: https://doi.org/10.1038/nchem.2478

Rösken, Liz M. ; Cappel, Felix ; Körsten, Susanne ; Fischer, Christian B. ; Schönleber, Andreas ; van Smaalen, Sander ; Geimer, Stefan ; Beresko, Christian ; Ankerhold, Georg ; Wehner, Stefan:
Time-dependent growth of crystalline Au0-nanoparticles in cyanobacteria as self-reproducing bioreactors : 2. Anabaena cylindrica.
In: Beilstein Journal of Nanotechnology. Vol. 7 (March 2016) . - pp. 312-327.
DOI: https://doi.org/10.3762/bjnano.7.30

Mondal, Swastik ; Bykova, Elena ; Dey, Somnath ; Ali, Sk Imran ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Parakhonskiy, Gleb ; van Smaalen, Sander:
Disorder and defects are not intrinsic to boron carbide.
In: Scientific Reports. Vol. 6 (18 January 2016) . - Art. No. 19330.
DOI: https://doi.org/10.1038/srep19330

Zhong, Degao ; Teng, Bing ; Kong, Weijin ; Zhang, Shiming ; Li, Yuyi ; Li, Jianhong ; Yang, Liting ; Cao, Lifeng ; van Smaalen, Sander:
Growth, structure, defects and polarized absorption spectral properties of Er:Yb:YCa₄O(BO₃)₃ crystals.
In: Journal of Solid State Chemistry. Vol. 233 (January 2016) . - pp. 120-124.
DOI: https://doi.org/10.1016/j.jssc.2015.10.021

Hübschle, Christian B. ; van Smaalen, Sander:
Electrostatic potential of dynamic charge densities.
In: Acta Crystallographica Section A. Vol. 72 (2016) Issue 1 . - s86. - 1 S..
DOI: https://doi.org/10.1107/S2053273316098727

Collings, Ines E. ; Bykov, Maxim ; Bykova, Elena ; Tucker, Matthew G. ; Petitgirard, Sylvain ; Hanfland, Michael ; Glazyrin, Konstantin ; van Smaalen, Sander ; Goodwin, Andrew L. ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Structural distortions in the high-pressure polar phases of ammonium metal formates.
In: CrystEngComm. Vol. 18 (2016) Issue 46 . - pp. 8849-8857.
DOI: https://doi.org/10.1039/C6CE01891B

Dey, Somnath ; Schönleber, Andreas ; Mondal, Swastik ; van Smaalen, Sander:
Superspace description of trimethyltin hydroxide at T = 100 K.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 231 (2016) Issue 7 . - pp. 427-434.
DOI: https://doi.org/10.1515/zkri-2016-1952

Dey, Somnath ; Schönleber, Andreas ; Mondal, Swastik ; Prathapa, Siriyara Jagannatha ; van Smaalen, Sander ; Larsen, Finn Krebs:
The Z' = 12 superstructure of [Lambda]-cobalt(III) sepulchrate trinitrate governed by C-H...O hydrogen bonds.
In: Acta Crystallographica Section B. Vol. 72 (2016) Issue 3 . - pp. 372-380.
DOI: https://doi.org/10.1107/S2052520616005503

2015

Bykov, Maxim:
Structural aspects of pressure- and temperature-induced phase transitions in low-dimensional systems.
Bayreuth , 2015 . - 179 p.
( Doctoral thesis, 2015 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Teng, Bing ; Kong, Weijin ; Feng, Ke ; You, Fei ; Cao, Lifeng ; Zhong, Degao ; Hao, Lun ; Sun, Qing ; van Smaalen, Sander ; Gong, Wenhui:
Synthesis, crystal structure and thermal analysis of a new stibazolium salt crystal.
In: Frontiers of Materials Science. Vol. 9 (June 2015) Issue 2 . - pp. 147-150.
DOI: https://doi.org/10.1007/s11706-015-0284-x

Bykov, Maxim ; Bykova, Elena ; Dubrovinsky, Leonid ; Hanfland, Michael ; Liermann, Hanns-Peter ; van Smaalen, Sander:
Pressure-induced normal-incommensurate and incommensurate-commensurate phase transitions in CrOCl.
In: Scientific Reports. Vol. 5 (21 May 2015) . - Art. No. 9647.
DOI: https://doi.org/10.1038/srep09647

Yusenko, Kirill V. ; Bykova, Elena ; Bykov, Maxim ; Gromilov, Sergey A. ; Kurnosov, Alexander ; Prescher, Clemens ; Prakapenka, Vitali B. ; Hanfland, Michael ; van Smaalen, Sander ; Margadonna, Serena ; Dubrovinsky, Leonid:
Compressibility of Ir–Os alloys under high pressure.
In: Journal of Alloys and Compounds. Vol. 622 (15 February 2015) . - pp. 155-161.
DOI: https://doi.org/10.1016/j.jallcom.2014.09.210

Ali, Sk Imran ; Mondal, Swastik ; van Smaalen, Sander:
Synthesis, Superstructure, and Vacancy-Ordering in 2H-CuxTa1+ySe2 (x, y = 0.52, 0 and 0.16, 0.08).
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 641 (February 2015) Issue 2 . - pp. 464-469.
DOI: https://doi.org/10.1002/zaac.201400335

Noohinejad, Leila ; Mondal, Swastik ; Ali, Sk Imran ; Dey, Somnath ; van Smaalen, Sander ; Schönleber, Andreas:
Resonance-stabilized partial proton transfer in hydrogen bonds of incommensurate phenazine-chloranilic acid.
In: Acta Crystallographica Section B. Vol. 71 (2015) . - pp. 228-234.
DOI: https://doi.org/10.1107/S2052520615004084

2014

Ali, Sk Imran:
Synthesis, Superstructure, Vacancy-Ordering of Intercalated Transition Metal Dichalcogenides.
Bayreuth , 2014 . - 2, VI, 110 p.
( Doctoral thesis, 2014 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Zhang, Jian:
Temperature dependent magnetic order in FeOCl type compounds.
Bayreuth , 2014 . - 4, IV, 177 p.
( Doctoral thesis, 2014 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Noohinejad, Leila ; Mondal, Swastik ; Wölfel, Alexander ; Ali, Sk Imran ; Schönleber, Andreas ; van Smaalen, Sander:
Ferroelectricity of Phenazine–Chloranilic Acid at "T = 100" K.
In: Journal of Chemical Crystallography. Vol. 44 (August 2014) Issue 8 . - pp. 387-393.
DOI: https://doi.org/10.1007/s10870-014-0527-1

Schönleber, Andreas ; van Smaalen, Sander ; Weiss, Hans-Christoph ; Kesel, Andreas J.:
N—-H⋅sO and C—-H⋅sF hydrogen bonds in the incommensurately modulated crystal structure of adamantan-1-ammonium 4-fluorobenzoate.
In: Acta Crystallographica Section B. Vol. 70 (August 2014) Issue 4 . - pp. 652-659.
DOI: https://doi.org/10.1107/S2052520614007707

Held, Jeanette ; van Smaalen, Sander:
The active site of hen egg-white lysozyme: flexibility and chemical bonding.
In: Acta Crystallographica Section D. Vol. 70 (April 2014) Issue 4 . - pp. 1136-1146.
DOI: https://doi.org/10.1107/S1399004714001928

Ali, Sk Imran ; van Smaalen, Sander:
Single Crystal X-ray Structure of Cu3TaSe4 and a Comparative Study of Cu3MX4 (M = V, Nb, Ta; X = S, Se, Te).
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 640 (April 2014) Issue 5 . - pp. 931-934.
DOI: https://doi.org/10.1002/zaac.201300678

Rösken, Liz M. ; Körsten, Susanne ; Fischer, Christian B. ; Schönleber, Andreas ; van Smaalen, Sander ; Geimer, Stefan ; Wehner, Stefan:
Time-dependent growth of crystalline Au0-nanoparticles in cyanobacteria as self-reproducing bioreactors : 1. Anabaena sp.
In: Journal of Nanoparticle Research. Vol. 16 (April 2014) Issue 4 . - p. 2370.
DOI: https://doi.org/10.1007/s11051-014-2370-x

Chumakov, Aleksandr I. ; Monaco, G. ; Fontana, A. ; Bosak, Alexeï ; Hermann, R. P. ; Bessas, D. ; Wehinger, Björn ; Crichton, Wilson A. ; Krisch, Michael ; Rüffer, Rudolf ; Baldi, G. ; Carini, G. ; Carini Jr., G. ; D'Angelo, G. ; Gilioli, E. ; Tripodo, G. ; Zanatta, M. ; Winkler, Björn ; Milman, V. ; Refson, K. ; Dove, M. T. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Keding, R. ; Yue, Y. Z.:
Role of Disorder in the Thermodynamics and Atomic Dynamics of Glasses.
In: Physical Review Letters. Vol. 112 (January 2014) . - 025502.
DOI: https://doi.org/10.1103/PhysRevLett.112.025502

Noohinejad, Leila ; Mondal, Swastik ; Wölfel, Alexander ; Ali, Sk Imran ; Schönleber, Andreas ; van Smaalen, Sander:
Ferroelectricity of Phenazine–Chloranilic Acid at T 1/4 100 K.
In: Journal of Chemical Crystallography. Vol. 44 (2014) Issue 8 . - pp. 387-393.
DOI: https://doi.org/10.1007/s10870-014-0527-1

2013

Kesel, Andreas J. ; Weiss, Hans-Christoph ; Schönleber, Andreas ; Day, Craig W. ; Barnard, Dale L. ; Detorio, Mervi A. ; Schinazi, Raymond F.:
Antiviral agents derived from novel 1-adamantyl singlet nitrenes.
In: Antiviral Chemistry & Chemotherapy. Vol. 23 (7 December 2013) . - pp. 113-128.
DOI: https://doi.org/10.3851/IMP2485

Małecka, Magdalena ; Mondal, Swastik ; van Smaalen, Sander ; Paulmann, Carsten:
Charge density distribution of 3-(1-aminoethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ5-benzo[e][1,2]oxaphosphinin-4-one.
In: Acta Crystallographica Section B. Vol. 69 (December 2013) Issue 6 . - pp. 621-628.
DOI: https://doi.org/10.1107/S2052519213027267

Henn, Julian ; Schönleber, Andreas:
More about residual values.
In: Acta Crystallographica Section A. Vol. 69 (November 2013) Issue 6 . - pp. 549-558.
DOI: https://doi.org/10.1107/S0108767313022514

Bykov, Maxim ; Zhang, Jian ; Schönleber, Andreas ; Wölfel, Alexander ; Ali, Sk Imran ; van Smaalen, Sander ; Glaum, Robert ; Koo, H.-J. ; Whangbo, M.-H. ; Reuvekamp, Patrick G. ; Law, J. M. ; Hoch, C. ; Kremer, Reinhard K.:
Spin-Peierls distortions in TiPO₄.
In: Physical Review B. Vol. 88 (November 2013) . - p. 184420.
DOI: https://doi.org/10.1103/PhysRevB.88.184420

Jagannatha Prathapa, Siriyara ; Held, Jeanette ; van Smaalen, Sander:
Topological Properties of Chemical Bonds from Static and Dynamic Electron Densities.
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 639 (September 2013) Issue 11 . - pp. 2047-2056.
DOI: https://doi.org/10.1002/zaac.201200535

Wölfel, Alexander ; Dorscht, Philipp ; Lichtenberg, Frank ; van Smaalen, Sander:
Anisotropic thermal expansion of La\n(Ti,Fe)nO3n+2 (n = 5 and 6).
In: Acta Crystallographica Section B. Vol. 69 (April 2013) Issue 2 . - pp. 137-144.
DOI: https://doi.org/10.1107/S2052519213003126

Prathapa, Siriyara Jagannatha ; Mondal, Swastik ; van Smaalen, Sander:
Electron densities by the maximum entropy method (MEM) for various types of prior densities : a case study on three amino acids and a tripeptide.
In: Acta Crystallographica Section B. Vol. 69 (April 2013) Issue 2 . - pp. 203-213.
DOI: https://doi.org/10.1107/S2052519213004879

van Smaalen, Sander ; Campbell, Branton J. ; Stokes, Harold T.:
Equivalence of superspace groups.
In: Acta Crystallographica Section A. Vol. 69 (January 2013) Issue 1 . - pp. 75-90.
DOI: https://doi.org/10.1107/S0108767312041657

Parakhonskiy, Gleb ; Vtech, Vojtech ; Dubrovinskaia, Natalia ; Caracas, Razvan ; Dubrovinsky, Leonid:
Raman spectroscopy investigation of alpha boron at elevated pressures and temperatures.
In: Solid State Communications. Vol. 154 (January 2013) . - pp. 34-39.
DOI: https://doi.org/10.1016/j.ssc.2012.10.026

Siriyara Jagannatha, Prathapa:
Dynamic charge densities of amino acids and proteins.
Bayreuth , 2013
( Doctoral thesis, 2013 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Mondal, Swastik ; van Smaalen, Sander ; Parakhonskiy, Gleb ; Prathapa, Siriyara Jagannatha ; Noohinejad, Leila ; Bykova, Elena ; Dubrovinskaia, Natalia ; Chernyshov, Dmitry ; Dubrovinsky, Leonid:
Experimental evidence of orbital order in α-B₁₂ and γ-B₂₈ polymorphs of elemental boron.
In: Physical Review B. Vol. 88 (2013) . - 024118.
DOI: https://doi.org/10.1103/PhysRevB.88.024118

Norrby, Niklas ; Lind, Hans ; Parakhonskiy, Gleb ; Johansson, M. P. ; Tasnádi, Ferenc ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Abrikosov, Igor A. ; Odén, Magnus:
High pressure and high temperature stabilization of cubic AlN in Ti0.60Al0.40N.
In: Journal of Applied Physics. Vol. 113 (2013) Issue 5 . - 053515.
DOI: https://doi.org/10.1063/1.4790800

Parakhonskiy, Gleb ; Dubrovinskaia, Natalia ; Bykova, Elena ; Wirth, Richard ; Dubrovinsky, Leonid:
High pressure synthesis and investigation of single crystals of metastable boron phases.
In: High Pressure Research. Vol. 33 (2013) Issue 3 . - pp. 673-683.
DOI: https://doi.org/10.1080/08957959.2013.806500

Bykov, Maxim ; Bykova, Elena ; van Smaalen, Sander ; Dubrovinsky, Leonid ; McCammon, Catherine ; Prakapenka, Vitali B. ; Liermann, Hanns-Peter:
High-pressure behavior of FeOCl.
In: Physical Review B. Vol. 88 (2013) . - 014110.
DOI: https://doi.org/10.1103/PhysRevB.88.014110

Manzoni, Anna M. ; Daoud, Haneen ; Mondal, Swastik ; van Smaalen, Sander ; Völkl, Rainer ; Glatzel, Uwe ; Wanderka, Nelia:
Investigation of phases in Al23Co15Cr23Cu8Fe15Ni16 and Al8Co17Cr17Cu8Fe17Ni33 high entropy alloys and comparison with equilibrium phases predicted by Thermo-Calc.
In: Journal of Alloys and Compounds. Vol. 552 (2013) . - 430 - 436.
DOI: https://doi.org/10.1016/j.jallcom.2012.11.074

Wehinger, Björn ; Bosak, Alexeï ; Chumakov, Aleksandr I. ; Mirone, Alessandro ; Winkler, Björn ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Brazhkin, Vadim ; Dyuzheva, Tatiana ; Krisch, Michael:
Lattice dynamics of coesite.
In: Journal of Physics: Condensed Matter. Vol. 25 (2013) Issue 27 . - p. 275401.
DOI: https://doi.org/10.1088/0953-8984/25/27/275401

Bykova, Elena ; Bykov, Maxim ; Prakapenka, Vitali B. ; Konôpková, Zuzana ; Liermann, Hanns-Peter ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Novel high pressure monoclinic Fe2O3 polymorph revealed by single-crystal synchrotron X-ray diffraction studies.
In: High Pressure Research. Vol. 33 (2013) Issue 3 . - pp. 534-545.
DOI: https://doi.org/10.1080/08957959.2013.833613

Solopova, Natalia ; Litvin, Yu. A. ; Spivak, A. V. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Urusov, Vadim S.:
The phase diagram of Na carbonate, an alkaline component of the growth medium of ultradeep diamonds.
In: Doklady Earth Sciences. Vol. 453 (2013) Issue 1 . - pp. 1106-1109.
DOI: https://doi.org/10.1134/S1028334X13110068

Solopova, Natalia ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Raman spectroscopy of glassy carbon up to 60 GPa.
In: Applied Physics Letters. Vol. 102 (2013) Issue 12 . - p. 121909.
DOI: https://doi.org/10.1063/1.4798660

Gou, Huiyang ; Steinle-Neumann, Gerd ; Bykova, Elena ; Nakajima, Yoichi ; Miyajima, Nobuyoshi ; Li, Yuan ; Ovsyannikov, Sergey V. ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Stability of MnB2 with AlB2-type structure revealed by first-principles calculations and experiments.
In: Applied Physics Letters. Vol. 102 (2013) Issue 6 . - 061906.
DOI: https://doi.org/10.1063/1.4792273

Wölfel, Alexander:
Superstructures of Magnetic Materials.
Bayreuth , 2013 . - 155 p.
( Doctoral thesis, 2013 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Wölfel, Alexander ; Lichtenberg, Frank ; van Smaalen, Sander:
Two-dimensional magnetic clusters in LanAnisotropic thermal expansion of Lan(Ti1-x,Fex)nO3n+2(n= 5 with x = 0.2 and n = 6 with x = 0.33).
In: Journal of Physics: Condensed Matter. Vol. 25 (2013) Issue 7 .
DOI: https://doi.org/10.1088/0953-8984/25/7/076003

2012

Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Prakapenka, Vitali B. ; Abakumov, Artem M.:
Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar.
In: Nature Communications. Vol. 3 (23 October 2012) . - Article Number 1163.
DOI: https://doi.org/10.1038/ncomms2160

Kupenko, Ilya ; Dubrovinsky, Leonid ; Dmitriev, Vladimir ; Dubrovinskaia, Natalia:
In situ Raman spectroscopic study of the pressure induced structural changes in ammonia borane.
In: The Journal of Chemical Physics. Vol. 137 (21 August 2012) Issue 7 . - Article number 074506.
DOI: https://doi.org/10.1063/1.4746074

Kantor, Innokenty ; Prakapenka, Vitali B. ; Kantor, Anastasia ; Dera, P. ; Kurnosov, Alexander ; Sinogeikin, S. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
BX90 : A new diamond anvil cell design for X-ray diffraction and optical measurements.
In: Review of Scientific Instruments. Vol. 83 (2012) Issue 12 . - p. 125102.
DOI: https://doi.org/10.1063/1.4768541

Bykova, Elena ; Parakhonskiy, Gleb ; Dubrovinskaia, Natalia ; Chernyshov, Dmitry ; Dubrovinsky, Leonid:
The crystal structure of aluminum doped β-rhombohedral boron.
In: Journal of Solid State Chemistry. Vol. 194 (2012) . - 188 - 193.
DOI: https://doi.org/10.1016/j.jssc.2012.05.011

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Hanfland, Michael ; Hofmann, M.:
Diamond anvils with a spherical support designed for X-ray and neutron diffraction experiments in DAC.
In: High Pressure Research. Vol. 32 (2012) Issue 4 . - pp. 537-543.
DOI: https://doi.org/10.1080/08957959.2012.748759

Davaasuren, Bambar ; Dashjav, Enkhtsetseg ; Kniep, Rüdiger ; Kreiner, Guido ; Schnelle, Walter ; Akselrud, Lev ; van Smaalen, Sander ; Wölfel, Alexander:
Dy0.64Dy5Fe2C9 : A complex carbide with a composite structure.
In: Journal of Solid State Chemistry. Vol. 190 (2012) . - 73 - 79.
DOI: https://doi.org/10.1016/j.jssc.2012.02.008

Palatinus, Lukas ; Prathapa, Siriyara Jagannatha ; van Smaalen, Sander:
EDMA : a computer program for topological analysis of discrete electron densities.
In: Journal of Applied Crystallography. Vol. 45 (2012) Issue 3 . - pp. 575-580.
DOI: https://doi.org/10.1107/S0021889812016068

Rondao, R. ; Seixas de Melo, J. ; Schaberle, F. A. ; Voss, Gundula:
Excited state characterization of a polymeric indigo.
In: Physical Chemistry Chemical Physics. Vol. 14 (2012) Issue 5 . - pp. 1778-1783.
DOI: https://doi.org/10.15495/EPub_UBT_00004779

Henn, Julian:
Expectation values for integer powers of a Poisson-distributed random number.
In: Acta Crystallographica Section A. Vol. 68 (2012) Issue 6 . - pp. 703-704.
DOI: https://doi.org/10.1107/S010876731203200X

Mondal, Swastik ; Prathapa, Siriyara Jagannatha ; van Smaalen, Sander:
Experimental dynamic electron densities of multipole models at different temperatures.
In: Acta Crystallographica Section A. Vol. 68 (2012) Issue 5 . - pp. 568-581.
DOI: https://doi.org/10.1107/S0108767312029005

Zhang, Jian ; Wölfel, Alexander ; Li, Liang ; van Smaalen, Sander ; Williamson, Hailey L. ; Kremer, Reinhard K.:
Magnetoelastic coupling in the incommensurate antiferromagnetic phase of FeOCl.
In: Physical Review B. Vol. 86 (2012) . - p. 134428.
DOI: https://doi.org/10.1103/PhysRevB.86.134428

Kupenko, Ilya ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; McCammon, Catherine ; Glazyrin, Konstantin ; Bykova, Elena ; Boffa Ballaran, Tiziana ; Sinmyo, Ryosuke ; Chumakov, Aleksandr I. ; Potapkin, Vasily ; Kantor, Anastasia ; Rüffer, Rudolf ; Hanfland, Michael ; Crichton, Wilson A. ; Merlini, Marco:
Portable double-sided laser-heating system for Mössbauer spectroscopy and X-ray diffraction experiments at synchrotron facilities with diamond anvil cells.
In: Review of Scientific Instruments. Vol. 83 (2012) Issue 12 . - p. 124501.
DOI: https://doi.org/10.1063/1.4772458

Magdysyuk, Oxana V. ; Dinnebier, Robert E. ; van Smaalen, Sander ; Zykin, Mikhail A. ; Kazin, Pavel E. ; Jansen, Martin:
Reconstructions of electron density by the Maximum Entropy Method from X-ray powder diffraction data based on incomplete and complete crystal structure models : A case study of apatites with different intercalated metal atoms.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 227 (2012) Issue 6 . - pp. 321-333.
DOI: https://doi.org/10.1524/zkri.2012.1533

Ali, Sk Imran ; Mondal, Swastik ; Prathapa, Siriyara Jagannatha ; van Smaalen, Sander ; Zörb, Steffen ; Harbrecht, Bernd:
Self-Intercalation and Vacancy-Ordering in 6R-CuxTa1+yS2 (x ≈ 0.23, y ≈ 0, 0.06).
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 638 (2012) Issue 15 . - pp. 2625-2631.
DOI: https://doi.org/10.1002/zaac.201200314

Spivak, A. V. ; Litvin, Yu. A. ; Ovsyannikov, Sergey V. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Stability and breakdown of Ca13CO3 melt associated with formation of 13C-diamond in static high pressure experiments up to 43 {GPa} and 3900 K.
In: Journal of Solid State Chemistry. Vol. 191 (2012) . - 102 - 106.
DOI: https://doi.org/10.1016/j.jssc.2012.02.041

Chattopadhyay, Basab ; Ghosh, Soumen ; Mondal, Swastik ; Mukherjee, Monika ; Mukherjee, Alok K.:
Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction : interplay of weak intermolecular interactions.
In: CrystEngComm. Vol. 14 (2012) . - pp. 837-846.
DOI: https://doi.org/10.1039/C1CE05920C

2011

Parakhonskiy, Gleb ; Dubrovinskaia, Natalia ; Bykova, Elena ; Wirth, Richard ; Dubrovinsky, Leonid:
Experimental pressure-temperature phase diagram of boron : resolving the long-standing enigma.
In: Scientific Reports. Vol. 1 (19 September 2011) .
DOI: https://doi.org/10.1038/srep00096

Pippinger, Thomas ; Dubrovinsky, Leonid ; Glazyrin, Konstantin ; Miletich, Ronald ; Dubrovinskaia, Natalia:
Detection of melting by in-situ observation of spherical-drop formation in laser-heated diamond-anvil cells.
In: Física de la Tierra. Vol. 23 (2011) . - pp. 29-41.
DOI: https://doi.org/10.5209/rev_FITE.2011.v23.36905

Glazyrin, Konstantin ; Dubrovinsky, Leonid ; Klotz, Stefan ; Uhlarz, M. ; Wosnitza, Joachim ; Hansen, Thomas H. ; Dubrovinskaia, Natalia:
Effect of composition and pressure on phase transitions in FexO at low temperature.
In: Journal of Applied Physics. Vol. 110 (2011) Issue 2 . - 026109.
DOI: https://doi.org/10.1063/1.3605553

Shahi, Rohit R. ; Yadav, T. P. ; Shaz, Mohammad ; Srivastava, O. N. ; van Smaalen, Sander:
Effect of processing parameter on hydrogen storage characteristics of as quenched Ti45Zr38Ni17 quasicrystalline alloys.
In: International Journal of Hydrogen Energy. Vol. 36 (2011) Issue 1 . - 592 - 599.
DOI: https://doi.org/10.1016/j.ijhydene.2010.10.031

Mondal, Swastik ; van Smaalen, Sander ; Schönleber, Andreas ; Filinchuk, Yaroslav ; Chernyshov, Dmitry ; Simak, Sergey I. ; Mikhaylushkin, Arkady S. ; Abrikosov, Igor A. ; Zarechnaya, Evgeniya ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia:
Electron-Deficient and Polycenter Bonds in the High-Pressure γ-B₂₈ Phase of Boron.
In: Physical Review Letters. Vol. 106 (2011) . - p. 215502.
DOI: https://doi.org/10.1103/PhysRevLett.106.215502

Stokes, Harold T. ; Campbell, Branton J. ; van Smaalen, Sander:
Generation of (3 + \it d)-dimensional superspace groups for describing the symmetry of modulated crystalline structures.
In: Acta Crystallographica Section A. Vol. 67 (2011) Issue 1 . - pp. 45-55.
DOI: https://doi.org/10.1107/S0108767310042297

Isaev, E. I. ; Simak, Sergey I. ; Mikhaylushkin, Arkady S. ; Vekilov, Yu. Kh. ; Zarechnaya, Evgeniya ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Merlini, Marco ; Hanfland, Michael ; Abrikosov, Igor A.:
Impact of lattice vibrations on equation of state of the hardest boron phase.
In: Physical Review B. Vol. 83 (2011) . - p. 132106.
DOI: https://doi.org/10.1103/PhysRevB.83.132106

Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Prakapenka, Vitali B.:
Is iron at the Earth's core conditions hcp-structured?
In: Física de la Tierra. Vol. 23 (2011) . - pp. 73-82.
DOI: https://doi.org/10.5209/rev_FITE.2011.v23.36910

Steneteg, Peter ; Chirita, Valeriu ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Abrikosov, Igor A.:
Missing-atom structure of diamond \ensuremathΣ5 (001) twist grain boundary.
In: Physical Review B. Vol. 84 (2011) . - p. 144112.
DOI: https://doi.org/10.1103/PhysRevB.84.144112

Li, Liang ; Wölfel, Andreas ; Mondal, Swastik ; Schreurs, Antoine M. M. ; Kroon-Batenburg, Loes M. J. ; van Smaalen, Sander ; Schönleber, Andreas:
Modulated anharmonic ADPs are intrinsic to aperiodic crystals : a case study on incommensurate Rb₂ZnCl₄.
In: Acta Crystallographica Section B. Vol. 67 (2011) Issue 3 . - pp. 205-217.
DOI: https://doi.org/10.1107/S0108768111013814

Friese, Karen ; Grzechnik, Andrzej ; Petricek, Vaclav ; van Smaalen, Sander ; Morgenroth, Wolfgang ; Schönleber, Andreas:
Modulated structure of nepheline.
In: Acta Crystallographica Section B. Vol. 67 (2011) Issue 1 . - pp. 18-29.
DOI: https://doi.org/10.1107/S0108768110050822

Liang, Li:
Modulation of Incommensurately Modulated Structures Studied by the Maximum Entropy Method.
Bayreuth , 2011
( Doctoral thesis, 2011 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Saha, Uday Chand ; Dhara, Koushik ; Chattopadhyay, Basab ; Mandal, Sushil Kumar ; Mondal, Swastik ; Sen, Supriti ; Mukherjee, Monika ; van Smaalen, Sander ; Chattopadhyay, Pabitra:
A New Half-Condensed Schiff Base Compound : Highly Selective and Sensitive pH-Responsive Fluorescent Sensor.
In: Organic Letters. Vol. 13 (2011) Issue 17 . - pp. 4510-4513.
DOI: https://doi.org/10.1021/ol201652r

Schönleber, Andreas:
Organic molecular compounds with modulated crystal structures.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 226 (2011) Issue 6 . - pp. 499-517.
DOI: https://doi.org/10.1524/zkri.2011.1372

Narygina, Olga ; Dubrovinsky, Leonid ; Miyajima, Nobuyoshi ; McCammon, Catherine ; Kantor, Innokenty ; Mezouar, Mohamed ; Prakapenka, Vitali B. ; Dubrovinskaia, Natalia ; Dmitriev, Vladimir:
Phase relations in Fe–Ni–C system at high pressures and temperatures.
In: Physics and Chemistry of Minerals. Vol. 38 (2011) Issue 3 . - pp. 203-214.
DOI: https://doi.org/10.1007/s00269-010-0396-x

Rodriguez-Garcia, Ruddi ; Mell, Michael ; Lopez-Montero, Ivan ; Netzel, Jeanette ; Hellweg, Thomas ; Monroy, Francisco:
Polymersomes : smart vesicles of tunable rigidity and permeability.
In: Soft Matter. Vol. 7 (2011) Issue 4 . - pp. 1532-1542.
DOI: https://doi.org/10.1039/C0SM00823K

Wei, Qingguo ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Ruby and Sm : YAG fluorescence presure gauges up to 120 GPa and 700 K.
In: Journal of Applied Physics. Vol. 110 (2011) Issue 4 . - 043513.
DOI: https://doi.org/10.1063/1.3624618

Angelkort, Joachim ; Senyshyn, Anatoliy ; Schönleber, Andreas ; van Smaalen, Sander:
Temperature-dependent neutron diffraction on TiI3.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 226 (2011) Issue 8 . - pp. 640-645.
DOI: https://doi.org/10.1524/zkri.2011.1370

Narygina, Olga ; Dubrovinsky, Leonid ; McCammon, Catherine ; Kurnosov, Alexander ; Kantor, Innokenty ; Prakapenka, Vitali B. ; Dubrovinskaia, Natalia:
X-ray diffraction and Mössbauer spectroscopy study of fcc iron hydride FeH at high pressures and implications for the composition of the Earth's core.
In: Earth and Planetary Science Letters. Vol. 307 (2011) Issue 3–4 . - 409 - 414.
DOI: https://doi.org/10.1016/j.epsl.2011.05.015

2010

Samy, Ali ; Dinnebier, Robert E. ; van Smaalen, Sander ; Jansen, Martin:
Maximum entropy method and charge flipping, a powerful combination to visualize the true nature of structural disorder from in situ X-ray powder diffraction data.
In: Acta Crystallographica Section B. Vol. 66 (April 2010) Issue 2 . - pp. 184-195.
DOI: https://doi.org/10.1107/S0108768109052616

Li, Liang ; Schönleber, Andreas ; van Smaalen, Sander:
Modulation functions of incommensurately modulated Cr₂P₂O₇ studied by the maximum entropy method (MEM).
In: Acta Crystallographica Section B. Vol. 66 (April 2010) Issue 2 . - pp. 130-140.
DOI: https://doi.org/10.1107/S0108768110003393

Schönleber, Andreas ; van Smaalen, Sander ; Larsen, Finn Krebs:
Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate.
In: Acta Crystallographica Section C. Vol. 66 (April 2010) Issue 4 . - m107-m109.
DOI: https://doi.org/10.1107/S0108270110005755

Nuss, Jürgen ; Pfeiffer, Steffen ; van Smaalen, Sander ; Jansen, Martin:
Structures of incommensurate and commensurate composite crystals RbₓMnO₂(x = 1.3711, 1.3636).
In: Acta Crystallographica Section B. Vol. 66 (February 2010) Issue 1 . - pp. 27-33.
DOI: https://doi.org/10.1107/S0108768109053312

Wölfel, Alexander ; Li, Liang ; Shimomura, Susumu ; Onodera, Hideya ; van Smaalen, Sander:
Commensurate charge-density wave with frustrated interchain coupling in SmNiC₂.
In: Physical Review B. Vol. 82 (2010) . - 054120.
DOI: https://doi.org/10.1103/PhysRevB.82.054120

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Caracas, Razvan ; Hanfland, Michael:
Diamond as a high pressure gauge up to 2.7 Mbar.
In: Applied Physics Letters. Vol. 97 (2010) Issue 25 . - p. 251903.
DOI: https://doi.org/10.1063/1.3529454

Zarechnaya, Evgeniya ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Filinchuk, Yaroslav ; Chernyshov, Dmitry ; Dmitriev, Vladimir:
Growth of single crystals of B₂₈ at high pressures and high temperatures.
In: Journal of Crystal Growth. Vol. 312 (2010) Issue 22 . - 3388 - 3394.
DOI: https://doi.org/10.1016/j.jcrysgro.2010.04.057

Hlubek, N. ; Sing, M. ; Glawion, S. ; Claessen, Ralph ; van Smaalen, Sander ; van Loosdrecht, Paul H. M. ; Büchner, Bernd ; Hess, C.:
Heat conductivity of the spin-Peierls compounds TiOCl and TiOBr.
In: Physical Review B. Vol. 81 (2010) . - p. 144428.
DOI: https://doi.org/10.1103/PhysRevB.81.144428

Henn, Julian ; Meindl, Kathrin:
Is there a fundamental upper limit for the significance I/σ(I) of observations from X-ray and neutron diffraction experiments?
In: Acta Crystallographica Section A. Vol. 66 (2010) Issue 6 . - pp. 676-684.
DOI: https://doi.org/10.1107/S0108767310038808

Samy, Ali ; Dinnebier, Robert E. ; Kazin, Pavel E. ; van Smaalen, Sander ; Jansen, Martin:
MEM Calculations on Apatites Containing Peroxide Using BAYMEM and TOPAS.
In: Scardi, Paolo ; Dinnebier, Robert E. (Hrsg.): Extending the reach of powder diffraction modelling by user defined macros : special topic volume with invited peer reviewed papers only. - Stafa-Zurich , 2010 . - pp. 105-116 . - (Materials Science Forum ; 651 )
DOI: https://doi.org/10.4028/www.scientific.net/MSF.651.105

Zarechnaya, Evgeniya ; Dubrovinskaia, Natalia ; Caracas, Razvan ; Merlini, Marco ; Hanfland, Michael ; Filinchuk, Yaroslav ; Chernyshov, Dmitry ; Dmitriev, Vladimir ; Dubrovinsky, Leonid:
Pressure-induced isostructural phase transformation in γ-B₂₈.
In: Physical Review B. Vol. 82 (2010) . - p. 184111.
DOI: https://doi.org/10.1103/PhysRevB.82.184111

Sagar, Dodderi M. ; Fausti, D. ; van Smaalen, Sander ; van Loosdrecht, Paul H. M.:
Raman signatures of charge ordering in K0.₃WO₃.
In: Physical Review B. Vol. 81 (2010) Issue 4 . - 045124.
DOI: https://doi.org/10.1103/PhysRevB.81.045124

Dubrovinsky, Leonid ; Boffa Ballaran, Tiziana ; Glazyrin, Konstantin ; Kurnosov, Alexander ; Frost, Daniel J. ; Merlini, Marco ; Hanfland, Michael ; Prakapenka, Vitali B. ; Schouwink, P. ; Pippinger, Thomas ; Dubrovinskaia, Natalia:
Single-crystal X-ray diffraction at megabar pressures and temperatures of thousands of degrees.
In: High Pressure Research. Vol. 30 (2010) Issue 4 . - pp. 620-633.
DOI: https://doi.org/10.1080/08957959.2010.534092

Ovsyannikov, Sergey V. ; Wu, Xiang ; Shchennikov, Vladimir V. ; Karkin, Alexander E. ; Dubrovinskaia, Natalia ; Garbarino, Gaston ; Dubrovinsky, Leonid:
Structural stability of a golden semiconducting orthorhombic polymorph of Ti2O3 under high pressures and high temperatures.
In: Journal of Physics: Condensed Matter. Vol. 22 (2010) Issue 37 . - p. 375402.
DOI: https://doi.org/10.1088/0953-8984/22/37/375402

Li, Liang ; Schönleber, Andreas ; van Smaalen, Sander:
Structure of incommensurately modulated chromium pyrophosphate studied by Maximum Entropy Method (MEM).
In: Journal of Physics: Conference Series. Vol. 226 (2010) Issue 1 . - 012012.
DOI: https://doi.org/10.1088/1742-6596/226/1/012012

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Structure-property relationships in novel high pressure superhard materials.
In: Boldyreva, Elena ; Dera, Przemyslaw (ed.): High-Pressure Crystallography : From Fundamental Phenomena to Technological Applications. 1st edition. - Dordrecht : Springer, 2010 . - pp. 419-433 . - XV, 612 S.
DOI: https://doi.org/10.1007/978-90-481-9258-8

Ebad-Allah, J. ; Schönleber, Andreas ; van Smaalen, Sander ; Hanfland, Michael ; Klemm, Matthias ; Horn, Siegfried ; Glawion, S. ; Sing, M. ; Claessen, Ralph ; Kuntscher, Christine A.:
Two pressure-induced structural phase transitions in TiOCl.
In: Physical Review B. Vol. 82 (2010) . - p. 134117.
DOI: https://doi.org/10.1103/PhysRevB.82.134117

2009

Voss, Gundula ; Drechsler, Markus ; Eller, Steffen ; Gradzielski, Michael ; Gunzelmann, Daniel ; Mondal, Swastik ; van Smaalen, Sander ; Voertler, Claus S.:
Polymeric Colorants : Statistical Copolymers of Indigo Building Blocks with Defined Structures.
In: Helvetica Chimica Acta. Vol. 92 (December 2009) Issue 12 . - pp. 2675-2697.
DOI: https://doi.org/10.1002/hlca.200900123

Dubrovinsky, Leonid ; Glazyrin, Konstantin ; McCammon, Catherine ; Narygina, Olga ; Greenberg, E. ; Übelhack, S. ; Chumakov, Aleksandr I. ; Pascarelli, Sakura ; Prakapenka, Vitali B. ; Bock, J. ; Dubrovinskaia, Natalia:
Portable laser-heating system for diamond anvil cells.
In: Journal of Synchrotron Radiation. Vol. 16 (November 2009) Issue 6 . - pp. 737-741.
DOI: https://doi.org/10.1107/S0909049509039065

Angelkort, Joachim ; Wölfel, Alexander ; Schönleber, Andreas ; van Smaalen, Sander ; Kremer, Reinhard K.:
Observation of strong magnetoelastic coupling in a first-order phase transition of CrOCl.
In: Physical Review B. Vol. 80 (October 2009) Issue 14 . - p. 144416.
DOI: https://doi.org/10.1103/PhysRevB.80.144416

Netzel, Jeanette ; van Smaalen, Sander:
Topological properties of hydrogen bonds and covalent bonds from charge densities obtained by the maximum entropy method (MEM).
In: Acta Crystallographica Section B. Vol. 65 (October 2009) Issue 5 . - pp. 624-638.
DOI: https://doi.org/10.1107/S0108768109026767

Schönleber, Andreas ; Angelkort, Joachim ; van Smaalen, Sander ; Palatinus, Lukas ; Senyshyn, Anatoliy ; Morgenroth, Wolfgang:
Phase transition, crystal structure, and magnetic order in VOCl.
In: Physical Review B. Vol. 80 (August 2009) Issue 6 . - 064426.
DOI: https://doi.org/10.1103/PhysRevB.80.064426

Wagner, Trixie ; Schönleber, Andreas:
A non-mathematical introduction to the superspace description of modulated structures.
In: Acta Crystallographica Section B. Vol. 65 (June 2009) Issue 3 . - pp. 249-268.
DOI: https://doi.org/10.1107/S0108768109015614

Angelkort, Joachim ; Schönleber, Andreas ; van Smaalen, Sander:
Low- and high-temperature crystal structures of Ti।₃.
In: Journal of Solid State Chemistry. Vol. 182 (March 2009) Issue 3 . - 525 - 531.
DOI: https://doi.org/10.1016/j.jssc.2008.11.028

Angelkort, Joachim:
Characterization of phase transitions by the analysis of crystal structures.
Bayreuth , 2009
( Doctoral thesis, 2009 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Kuntscher, Christine A. ; Ebad-Allah, J. ; Pashkin, A. ; Frank, S. ; Klemm, Matthias ; Horn, Siegfried ; Schönleber, Andreas ; van Smaalen, Sander ; Hanfland, Michael ; Glawion, S. ; Sing, M. ; Claessen, Ralph:
Filling of the Mott–Hubbard gap in the oxyhalides TiOCl and TiOBr induced by external pressure.
In: High Pressure Research. Vol. 29 (2009) Issue 4 . - pp. 509-513.
DOI: https://doi.org/10.1080/08957950903386334

Ponomareva, Alena V. ; Ruban, A. V. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Abrikosov, Igor A.:
Influence of global magnetic state on chemical interactions in high-pressure high-temperature synthesis of B2Fe₂Si.
In: Applied Physics Letters. Vol. 94 (2009) Issue 18 . - p. 181912.
DOI: https://doi.org/10.1063/1.3131784

van Smaalen, Sander ; Netzel, Jeanette:
The maximum entropy method in accurate charge-density studies.
In: Physica Scripta. Vol. 79 (2009) Issue 4 . - 048304.
DOI: https://doi.org/10.1088/0031-8949/79/04/048304

Scherm, Florian ; Völkl, Rainer ; van Smaalen, Sander ; Mondal, Swastik ; Plamondon, Philippe ; L'Esperance, Gilles ; Bechmann, Florian ; Glatzel, Uwe:
Microstructural characterization of interpenetrating light weight metal matrix composites.
In: Materials Science and Engineering A. Vol. 518 (2009) Issue 1-2 . - pp. 118-123.
DOI: https://doi.org/10.1016/j.msea.2009.04.010

van Smaalen, Sander ; Li, Liang:
Modulation functions of aperiodic crystals by the maximum entropy method in superspace.
In: Physica Scripta. Vol. 79 (2009) Issue 4 . - 048305.
DOI: https://doi.org/10.1088/0031-8949/79/04/048305

Zarechnaya, Evgeniya ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Polarized Raman spectroscopy of high-pressure orthorhombic boron phase.
In: High Pressure Research. Vol. 29 (2009) Issue 4 . - pp. 530-535.
DOI: https://doi.org/10.1080/08957950903457788

Zarechnaya, Evgeniya ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Filinchuk, Yaroslav ; Chernyshov, Dmitry ; Dmitriev, Vladimir ; Miyajima, Nobuyoshi ; El Goresy, Ahmed ; Braun, Hans F. ; van Smaalen, Sander ; Kantor, Innokenty ; Kantor, Anastasia ; Prakapenka, Vitali B. ; Hanfland, Michael ; Mikhaylushkin, Arkady S. ; Abrikosov, Igor A. ; Simak, Sergey I.:
Superhard Semiconducting Optically Transparent High Pressure Phase of Boron.
In: Physical Review Letters. Vol. 102 (2009) Issue 18 . - p. 185501.
DOI: https://doi.org/10.1103/PhysRevLett.102.185501

2008

Castillo-Martiínez, E. ; Schönleber, Andreas ; van Smaalen, Sander ; Arévalo-López, A. M. ; Alario-Franco, M. A.:
Structure and microstructure of the high pressure synthesised misfit layer compound [Sr₂O₂][CrO₂]₁.₈₅.
In: Journal of Solid State Chemistry. Vol. 181 (August 2008) Issue 8 . - pp. 1840-1847.
DOI: https://doi.org/10.1016/j.jssc.2008.03.033

Kuntscher, Christine A. ; Pashkin, A. ; Hoffmann, H. ; Frank, S. ; Klemm, Matthias ; Horn, Siegfried ; Schönleber, Andreas ; van Smaalen, Sander ; Hanfland, Michael ; Glawion, S. ; Sing, M. ; Claessen, Ralph:
Mott-Hubbard gap closure and structural phase transition in the oxyhalides TiOBr and TiOCl under pressure.
In: Physical Review B. Vol. 78 (15 July 2008) Issue 3 . - 035106.
DOI: https://doi.org/10.1103/PhysRevB.78.035106

Schönleber, Andreas ; Shcheka, Galina ; van Smaalen, Sander:
Normal-to-incommensurate phase transition in the spin-Peierls compound TiOCl : An x-ray diffraction study.
In: Physical Review B. Vol. 77 (14 March 2008) Issue 9 . - 094117.
DOI: https://doi.org/10.1103/PhysRevB.77.094117

Sagar, Dodderi M. ; Fausti, D. ; Yue, S. ; Kuntscher, Christine A. ; van Smaalen, Sander ; van Loosdrecht, Paul H. M.:
A Raman study of the charge-density-wave state in A0.₃MoO₃ (A = K, Rb).
In: New Journal of Physics. Vol. 10 (26 February 2008) Issue 2 . - 023043.
DOI: https://doi.org/10.1088/1367-2630/10/2/023043

Netzel, Jeanette:
Accurate charge densities of amino acids and peptides by the Maximum Entropy Method.
Bayreuth , 2008
( Doctoral thesis, 2009 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Netzel, Jeanette ; Hofmann, Andreas ; van Smaalen, Sander:
Accurate charge density of small α-glycine by the maximum entropy method.
In: CrystEngComm. Vol. 10 (2008) Issue 3 . - pp. 335-343.
DOI: https://doi.org/10.1039/B711064B

Dubrovinskaia, Natalia ; Wirth, Richard ; Wosnitza, Joachim ; Papageorgiou, Thomas ; Braun, Hans F. ; Miyajima, Nobuyoshi ; Dubrovinsky, Leonid:
An insight into what superconducts in polycrystalline boron-doped diamonds based in investigations of microstructure.
In: Proceedings of the National Academy of Sciences of the United States of America. Vol. 105 (2008) Issue 33 . - pp. 11619-11622.
DOI: https://doi.org/10.1073/pnas.0801520105

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Papageorgiou, Thomas ; Bosak, Alexeï ; Krisch, Michael ; Braun, Hans F. ; Wosnitza, Joachim:
Large carbon-isotope shift of TC in boron-doped diamond.
In: Applied Physics Letters. Vol. 92 (2008) Issue 13 . - p. 132506.
DOI: https://doi.org/10.1063/1.2906381

2007

Kuntscher, Christine A. ; Frank, S. ; Pashkin, A. ; Hoffmann, H. ; Schönleber, Andreas ; van Smaalen, Sander ; Hanfland, Michael ; Glawion, S. ; Klemm, Matthias ; Sing, M. ; Horn, Siegfried ; Claessen, Ralph:
Pressure-induced metallization and structural phase transition of the Mott-Hubbard insulator TiOBr.
In: Physical Review B. Vol. 76 (15 December 2007) Issue 24 . - p. 241101.
DOI: https://doi.org/10.1103/PhysRevB.76.241101

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Solozhenko, Vladimir L.:
Comment on "Synthesis of Ultra-Incompressible Superhard Rhenium Diboride at Ambient Pressure".
In: Science. Vol. 318 (7 December 2007) Issue 5856 . - p. 1550.
DOI: https://doi.org/10.1126/science.1147650

Macovez, Roberto ; Luzon, Javier ; Schiessling, Joachim ; Sadoc, Aymeric ; Kjeldgaard, Lisbeth ; van Smaalen, Sander ; Fausti, Daniele ; van Loosdrecht, Paul H. M. ; Broer, Ria ; Rudolf, Petra:
Hybridization, superexchange, and competing magnetoelastic interactions in TiOBr.
In: Physical Review B. Vol. 76 (15 November 2007) Issue 20 . - p. 205111.
DOI: https://doi.org/10.1103/PhysRevB.76.205111

Mikhaylushkin, Arkady S. ; Simak, Sergey I. ; Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Johansson, B. ; Abrikosov, Igor A.:
Pure Iron Compressed and Heated to Extreme Conditions.
In: Physical Review Letters. Vol. 99 (19 October 2007) Issue 16 . - p. 165505.
DOI: https://doi.org/10.1103/PhysRevLett.99.165505

Kantor, Anastasia ; Kantor, Innokenty ; Kurnosov, Alexander ; Kuznetsov, Alexei Y. ; Dubrovinskaia, Natalia ; Krisch, Michael ; Bosak, Alexeï ; Dmitriev, Vladimir ; Urusov, Vadim S. ; Dubrovinsky, Leonid:
Sound wave velocities of fcc Fe–Ni alloy at high pressure and temperature by mean of inelastic X-ray scattering.
In: Physics of the Earth and Planetary Interiors. Vol. 164 (14 September 2007) Issue 1–2 . - 83 - 89.
DOI: https://doi.org/10.1016/j.pepi.2007.06.006

McMahon, M. I. ; Degtyareva, O. ; Nelmes, R. J. ; van Smaalen, Sander ; Palatinus, Lukas:
Incommensurate modulations of Bi-III and Sb-II.
In: Physical Review B. Vol. 75 (29 May 2007) Issue 18 . - p. 184114.
DOI: https://doi.org/10.1103/PhysRevB.75.184114

Hofmann, A. ; Kalinowski, R. ; Luger, P. ; van Smaalen, Sander:
Accurate charge density of the tripeptide Ala-Pro-Ala with the maximum entropy method (MEM): influence of dada resolution.
In: Acta Crystallographica Section B. Vol. 63 (2007) . - pp. 633-643.
DOI: https://doi.org/10.1107/S0108768107029655

Hofmann, Andreas ; Netzel, Jeanette ; van Smaalen, Sander:
Accurate charge density of trialanine : a comparison of the multipole formalism and the maximum entropy method (MEM).
In: Acta Crystallographica Section B. Vol. 63 (2007) Issue 2 . - pp. 285-295.
DOI: https://doi.org/10.1107/S0108768106052153

Zanazzi, P. F. ; Comodi, Paola ; Nazzareni, S. ; Rotiroti, Nicola ; van Smaalen, Sander:
Behavior of 10-Å phase at low temperatures.
In: Physics and Chemistry of Minerals. Vol. 34 (2007) Issue 1 . - pp. 23-29.
DOI: https://doi.org/10.1007/s00269-006-0123-9

Sagar, Dodderi M. ; Tsvetkov, Artem A. ; Fausti, Daniele ; van Smaalen, Sander ; van Loosdrecht, Paul H. M.:
Coherent amplitudon generation in blue bronze through ultrafast interband quasi-particle decay.
In: Journal of Physics: Condensed Matter. Vol. 19 (2007) Issue 34 . - p. 346208.
DOI: https://doi.org/10.1088/0953-8984/19/34/346208

Nestola, Fabrizio ; Rotiroti, Nicola ; Bruno, M. ; Tribaudino, M. ; van Smaalen, Sander ; Ohashi, H. ; Redhammer, G. J.:
Low-temperature behavior of NaGaSi2O6.
In: American Mineralogist. Vol. 92 (2007) Issue 4 . - pp. 560-569.
DOI: https://doi.org/10.2138/am.2007.2304

Dubrovinsky, Leonid ; Dubrovinskaia, Natalia ; Crichton, Wilson A. ; Mikhaylushkin, Arkady S. ; Simak, Sergey I. ; Abrikosov, Igor A. ; de Almeida, J. S. ; Ahuja, R. ; Luo, W. ; Johansson, B.:
Noblest of All Metals Is Structurally Unstable at High Pressure.
In: Physical Review Letters. Vol. 98 (2007) Issue 4 . - 045503.
DOI: https://doi.org/10.1103/PhysRevLett.98.045503

Hoinkis, Markus ; Sing, M. ; Glawion, S. ; Pisani, L. ; Valentí, R. ; van Smaalen, Sander ; Klemm, Matthias ; Horn, Siegfried ; Claessen, Ralph:
One-dimensional versus two-dimensional correlation effects in the oxyhalides TiOCl and TiOBr.
In: Physical Review B. Vol. 75 (2007) Issue 24 . - p. 245124.
DOI: https://doi.org/10.1103/PhysRevB.75.245124

Angelkort, Joachim ; van Smaalen, Sander ; Hauber, Sven Oliver ; Niemeyer, Mark:
Phase Transition and Crystal Structure of the Monomeric Europium(II) Thiolate Eu(SC36H49)2.
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 633 (2007) Issue 7 . - pp. 1031-1035.
DOI: https://doi.org/10.1002/zaac.200600398

Tamazyan, Rafael ; van Smaalen, Sander:
Quantitative description of the tilt of distorted octahedra in \it ABX\sb 3 structures.
In: Acta Crystallographica Section B. Vol. 63 (2007) Issue 2 . - pp. 190-200.
DOI: https://doi.org/10.1107/S010876810605244X

Arulraj, Anthony ; Dinnebier, Robert E. ; Carlson, Stefan ; Hanfland, Michael ; van Smaalen, Sander:
Strain effects in perovskite manganites.
In: Progress in Solid State Chemistry. Vol. 35 (2007) Issue 2–4 . - 367 - 377.
DOI: https://doi.org/10.1016/j.progsolidstchem.2007.01.034

van Smaalen, Sander ; Dinnebier, Robert E. ; Sofin, Mikhail ; Jansen, Martin:
Structures of incommensurate and commensurate composite crystals NaₓCuO₂ (x = 1.58, 1.6, 1.62).
In: Acta Crystallographica Section B. Vol. 63 (2007) Issue 1 . - pp. 17-25.
DOI: https://doi.org/10.1107/S0108768106039462

Dubrovinskaia, Natalia ; Solozhenko, Vladimir L. ; Miyajima, Nobuyoshi ; Dmitriev, Vladimir ; Kurakevych, Oleksandr O. ; Dubrovinsky, Leonid:
Superhard nanocomposite of dense polymorphs of boron nitride: Noncarbon material has reached diamond hardness.
In: Applied Physics Letters. Vol. 90 (2007) Issue 10 . - p. 101912.
DOI: https://doi.org/10.1063/1.2711277

Guevarra, Jonathan ; Schönleber, Andreas ; van Smaalen, Sander ; Lichtenberg, Frank:
Superspace description of the crystal structures of Ca\sb \it n(Nb,Ti)\sb \it nO\sb 3\it n+2 (\it n = 5 and 6).
In: Acta Crystallographica Section B. Vol. 63 (2007) Issue 2 . - pp. 183-189.
DOI: https://doi.org/10.1107/S0108768107002340

Fausti, Daniele ; Lummen, Tom T. A. ; Angelescu, Cosmina ; Macovez, Roberto ; Luzon, Javier ; Broer, Ria ; Rudolf, Petra ; van Loosdrecht, Paul H. M. ; Tristan, Natalia ; Büchner, Bernd ; van Smaalen, Sander ; Möller, Angela ; Meyer, Gerd ; Taetz, Timo:
Symmetry disquisition on the TiOX phase diagram (X=Br,Cl).
In: Physical Review B. Vol. 75 (2007) Issue 24 . - p. 245114.
DOI: https://doi.org/10.1103/PhysRevB.75.245114

2006

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Miyajima, Nobuyoshi ; Langenhorst, Falko ; Crichton, Wilson A. ; Braun, Hans F.:
High-pressure / High-temperature Synthesis and Characterization of Boron-doped Diamond.
In: Zeitschrift für Naturforschung B. Vol. 61 (April 2006) Issue 12 . - pp. 1561-1565.

Zanazzi, P. F. ; Comodi, Paola ; Nazzareni, S. ; Rotiroti, Nicola ; van Smaalen, Sander:
Behavior of 10-Å phase at low temperatures.
In: Physics and Chemistry of Minerals. Vol. 34 (2006) Issue 1 . - pp. 23-29.
DOI: https://doi.org/10.1007/s00269-006-0123-9

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Crichton, Wilson A. ; Zarechnaya, Evgeniya ; Isaev, E. I. ; Abrikosov, Igor A.:
Compressibility of boron-doped diamond.
In: High Pressure Research. Vol. 26 (2006) Issue 2 . - pp. 79-85.
DOI: https://doi.org/10.1080/08957950600764353

Guevarra, Jonathan:
Crystal Structures of Perovskite-related Can(Nb,Ti)nO3n+2 (n=5 and 6).
Bayreuth , 2006
( Doctoral thesis, 2006 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Guest editors' preface.
In: High Pressure Research. Vol. 26 (2006) Issue 2 . - pp. 55-60.
DOI: https://doi.org/10.1080/08957950600817003

Rotiroti, Nicola:
Low Temperature Single-Crystal X-ray Diffraction on A(1-x)A'xMnO3 (A=La,Eu and A'=Ba,Sr).
Bayreuth , 2006
( Doctoral thesis, 2006 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

Richter, Asta ; Smith, Roger ; Dubrovinskaia, Natalia ; Mcgee, Edward:
Mechanical properties of superhard materials synthesised at various pressure–temperature conditions investigated by nanoindentation.
In: High Pressure Research. Vol. 26 (2006) Issue 2 . - pp. 99-109.
DOI: https://doi.org/10.1080/08957950600765269

Shiryaev, A. A. ; Iakoubovskii, K. ; Grambole, D. ; Dubrovinskaia, Natalia:
Spectroscopic study of defects and inclusions in bulk poly- and nanocrystalline diamond aggregates.
In: Journal of Physics: Condensed Matter. Vol. 18 (2006) Issue 40 . - pp. 493-501.
DOI: https://doi.org/10.1088/0953-8984/18/40/L01

Rotiroti, Nicola ; van Smaalen, Sander ; Tamazyan, Rafael ; Mukovskii, Yakov:
Structural anomalies at the ferromagnetic transition and precursor effects in the vicinity of the structural phase transition of La0.815Ba0.185MnO3.
In: Physical Review B. Vol. 74 (2006) . - p. 104423.
DOI: https://doi.org/10.1103/PhysRevB.74.104423

Schönleber, Andreas ; van Smaalen, Sander ; Palatinus, Lukas:
Structure of the incommensurate phase of the quantum magnet TiOCl.
In: Physical Review B. Vol. 73 (2006) . - p. 214410.
DOI: https://doi.org/10.1103/PhysRevB.73.214410

Dubrovinskaia, Natalia ; Eska, Georg ; Sheshin, Grigorii A. ; Braun, Hans F.:
Superconductivity in polycrystalline boron-doped diamond synthesized at 20GPa and 2700K.
In: Journal of Applied Physics. Vol. 99 (2006) Issue 3 .
DOI: https://doi.org/10.1063/1.2166645

Dubrovinskaia, Natalia ; Dub, Sergey ; Dubrovinsky, Leonid:
Superior Wear Resistance of Aggregated Diamond Naonorods.
In: Nano Letters. Vol. 6 (2006) Issue 4 . - pp. 824-826.
DOI: https://doi.org/10.1021/nl0602084

Tamazyan, Rafael ; Rotiroti, Nicola ; van Smaalen, Sander ; Mukovskii, Yakov ; Arsenov, A.:
Twinning and structure of Eu0.6Sr0.4MnO3.
In: Acta Crystallographica Section C. Vol. 62 (2006) Issue 1 . - pp. 3-5.
DOI: https://doi.org/10.1107/S0108270105036644

2005

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Kantor, Innokenty ; Crichton, Wilson A. ; Dmitriev, Vladimir ; Prakapenka, Vitali B. ; Shen, G. ; Vitos, L. ; Ahuja, R. ; Johansson, B. ; Abrikosov, Igor A.:
Beating the Miscibility Barrier between Iron Group Elements and Magnesium by High-Pressure Alloying.
In: Physical Review Letters. Vol. 95 (2005) Issue 24 . - p. 245502.
DOI: https://doi.org/10.1103/PhysRevLett.95.245502

Guevarra, Jonathan ; van Smaalen, Sander ; Rotiroti, Nicola ; Paulmann, Carsten ; Lichtenberg, Frank:
Crystal structure of Ca5Nb5O17.
In: Journal of Solid State Chemistry. Vol. 178 (2005) Issue 9 . - 2934 - 2941.
DOI: https://doi.org/10.1016/j.jssc.2005.07.007

Dinnebier, Robert E. ; van Smaalen, Sander ; Olbrich, Falk ; Carlson, Stefan:
Effect of crystal packing on the structures of polymeric metallocenes.
In: Inorganic Chemistry. Vol. 44 (2005) Issue 4 . - pp. 964-968.
DOI: https://doi.org/10.1021/ic049214y

van Smaalen, Sander ; Dinnebier, Robert E. ; Hanson, Jonathan ; Gollwitzer, Jan ; Büllesfeld, Frank ; Prokofiev, Andrei ; Assmus, Wolf:
High-temperature behavior of vanadyl pyrophosphate (VO)2P2O7.
In: Journal of Solid State Chemistry. Vol. 178 (2005) Issue 7 . - 2225 - 2230.
DOI: https://doi.org/10.1016/j.jssc.2005.04.034

van Smaalen, Sander ; Palatinus, Lukas ; Schönleber, Andreas:
Incommensurate interactions and nonconventional spin-Peierls transition in TiOBr.
In: Physical Review B. Vol. 72 (2005) Issue 2 . - 020105.
DOI: https://doi.org/10.1103/PhysRevB.72.020105

Rotiroti, Nicola ; Tamazyan, Rafael ; van Smaalen, Sander ; Mukovskii, Yakov:
Monoclinic La1-xBaxMnO3 (x = 0.185) at 160 K.
In: Acta Crystallographica Section C. Vol. 61 (2005) Issue 9 . - i83-i85.
DOI: https://doi.org/10.1107/S0108270105017518

van Smaalen, Sander:
The Peierls transition in low-dimensional electronic crystals.
In: Acta Crystallographica Section A. Vol. 61 (2005) Issue 1 . - pp. 51-61.
DOI: https://doi.org/10.1107/S0108767304025437

Guevarra, Jonathan ; van Smaalen, Sander ; Daniels, Peter ; Rotiroti, Nicola ; Lichtenberg, Frank:
Perovskite-related Ca(Nb,Ti)O 3.33.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 220 (2005) Issue 1 . - pp. 19-24.
DOI: https://doi.org/10.1524/zkri.220.1.19.58885

Palatinus, Lukas ; van Smaalen, Sander:
The prior-derived F constraints in the maximum-entropy method.
In: Acta Crystallographica Section A. Vol. 61 (2005) Issue 3 . - pp. 363-372.
DOI: https://doi.org/10.1107/S0108767305009918

Arulraj, Anthony ; Dinnebier, Robert E. ; Carlson, Stefan ; Hanfland, Michael ; van Smaalen, Sander:
Shear Strain in Nd0.5 Ca0.5 MnO₃ at High Pressures.
In: Physical Review Letters. Vol. 94 (2005) Issue 16 . - p. 165504.
DOI: https://doi.org/10.1103/PhysRevLett.94.165504

Shaz, Mohammad ; van Smaalen, Sander ; Palatinus, Lukas ; Hoinkis, Markus ; Klemm, Matthias ; Horn, Siegfried ; Claessen, Ralph:
Spin-Peierls transition in TiOCl.
In: Physical Review B. Vol. 71 (2005) Issue 10 . - p. 100405.
DOI: https://doi.org/10.1103/PhysRevB.71.100405

Palatinus, Lukas ; Schönleber, Andreas ; van Smaalen, Sander:
The twofold superstructure of titanium(III) oxybromide at T = 17.5 K.
In: Acta Crystallographica Section C. Vol. 61 (2005) Issue 5 . - i47-i48.
DOI: https://doi.org/10.1107/S010827010500867X

2004

Grzechnik, Andrzej ; Dmitriev, Vladimir ; Weber, Hans-Peter ; Gesland, Jean-Yves ; van Smaalen, Sander:
The crystal structures of pressure-induced LiSrAlF6-II and LiCaAlF6-II.
In: Journal of Physics: Condensed Matter. Vol. 16 (2004) Issue 7 . - pp. 1033-1043.
DOI: https://doi.org/10.1088/0953-8984/16/7/003

van Smaalen, Sander:
An elementary introduction to superspace crystallography.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 219 (2004) . - pp. 681-691.
DOI: https://doi.org/10.1524/zkri.219.11.681.52429

Palatinus, Lukas ; van Smaalen, Sander:
The Ferroelectric Phase Transition and Modulated Valence Electrons in the Incommensurate Phase of Ammonium Tetrafluoroberyllate.
In: Ferroelectrics. Vol. 305 (2004) Issue 1 . - pp. 49-52.
DOI: https://doi.org/10.1080/00150190490462388

Starešinić, Damir ; Hosseini, Khalil ; Brütting, Wolfgang ; Biljaković, K. ; Riedel, E. ; van Smaalen, Sander:
Glass transition and secondary relaxation in the charge-density-wave system K0.3MoO3.
In: Physical Review B. Vol. 69 (2004) Issue 11 . - p. 113102.
DOI: https://doi.org/10.1103/PhysRevB.69.113102

Palatinus, Lukas ; van Smaalen, Sander:
Incommensurate modulations made visible by the Maximum Entropy Method in superspace.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 219 (2004) Issue 11 . - pp. 719-729.
DOI: https://doi.org/10.1524/zkri.219.11.719.52435

Coronado, Eugenio ; Galán-Mascarós, José R. ; Gómez-García, Carlos J. ; Martínez-Ferrero, Eugenia ; van Smaalen, Sander:
Incommensurate nature of the multilayered molecular ferromagnetic metals based on bis(ethylenedithio)tetrathiafulvalene and bimetallic oxalate complexes.
In: Inorganic Chemistry. Vol. 43 (2004) Issue 16 . - pp. 4808-4810.
DOI: https://doi.org/10.1021/ic049424a

Grzechnik, Andrzej ; Dmitriev, Vladimir ; Weber, Hans-Peter ; Gesland, Jean-Yves ; van Smaalen, Sander:
LiSrAlF6 with the LiBaCrF6-type structure.
In: Journal of Physics: Condensed Matter. Vol. 16 (2004) Issue 18 . - pp. 3005-3013.
DOI: https://doi.org/10.1088/0953-8984/16/18/001

van Smaalen, Sander ; Shaz, Mohammad ; Palatinus, Lukas ; Daniels, Peter ; Galli, Federica ; Nieuwenhuys, Gerard J. ; Mydosh, J. A.:
Multiple charge-density waves in R₅Ir₄Si₁₀ (R = Ho, Er, Tm, and Lu).
In: Physical Review B. Vol. 69 (2004) Issue 1 . - 014103.
DOI: https://doi.org/10.1103/PhysRevB.69.014103

Amami, Mongi ; van Smaalen, Sander ; Ben Salah, Abdelhamid ; Helluy, Xavier ; Sebald, Angelika:
Structural investigation of trimethylammonium tetrachloromercurate.
In: Journal of Solid State Chemistry. Vol. 177 (2004) Issue 8 . - 2961 - 2970.
DOI: https://doi.org/10.1016/j.jssc.2004.05.012

Palatinus, Lukas ; Amami, Mongi ; van Smaalen, Sander:
Structure of incommensurate ammonium tetrafluoroberyllate studied by structure refinements and the maximum entropy method.
In: Acta Crystallographica Section B. Vol. 60 (2004) Issue 2 . - pp. 127-137.
DOI: https://doi.org/10.1107/S0108768104000874

2003

van Smaalen, Sander:
Comment on "Periodic hole structure in a spin-chain ladder material Sr₁₄Cu₂₄O₄₁".
In: Physical Review B. Vol. 67 (2003) Issue 2 . - 026101.
DOI: https://doi.org/10.1103/PhysRevB.67.026101

Immirzi, Attilio ; Tedesco, Consiglia ; Valdo Meille, Stefano ; Famulari, Antonino ; van Smaalen, Sander:
Crystal Structure of Form I of Syndiotactic 1,2-Poly(4-methyl-1,3-pentadiene).
In: Macromolecules. Vol. 36 (2003) Issue 10 . - pp. 3666-3672.
DOI: https://doi.org/10.1021/ma0257853

Wunschel, Markus ; Dinnebier, Robert E. ; Carlson, Stefan ; van Smaalen, Sander:
High-pressure phase transitions in tetrakis(trimethylsilyl)silane SiSi(CH3)34.
In: High Pressure Research. Vol. 23 (2003) Issue 4 . - pp. 425-437.
DOI: https://doi.org/10.1080/0895795031000114377

Wunschel, Markus ; Dinnebier, Robert E. ; Carlson, Stefan ; Bernatowicz, Piotr ; van Smaalen, Sander:
Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals.
In: Acta Crystallographica Section B. Vol. 59 (2003) Issue 1 . - pp. 60-71.
DOI: https://doi.org/10.1107/S0108768102021791

Bovet, M. ; van Smaalen, Sander ; Berger, H. ; Gaal, R. ; Forró, L. ; Schlapbach, L. ; Aebi, P.:
Interplane coupling in the quasi-two-dimensional 1T-TaS₂.
In: Physical Review B. Vol. 67 (2003) Issue 12 . - p. 125105.
DOI: https://doi.org/10.1103/PhysRevB.67.125105

Palatinus, Lukas:
Maximum Entropy Method in Superspace Crystallography.
Bayreuth , 2003
( Doctoral thesis, 2003 , Universität Bayreuth, Fakultät für Mathematik, Physik und Informatik)

van Smaalen, Sander ; Palatinus, Lukas ; Schneider, Martin:
The maximum-entropy method in superspace.
In: Acta Crystallographica Section A. Vol. 59 (2003) Issue 5 . - pp. 459-469.
DOI: https://doi.org/10.1107/S010876730301434X

Daniels, Peter ; Lichtenberg, Frank ; van Smaalen, Sander:
Perovskite-related LaTiO3.41.
In: Acta Crystallographica Section C. Vol. 59 (2003) . - i15-i17.
DOI: https://doi.org/10.1107/S0108270102023612

Grzechnik, Andrzej ; Crichton, Wilson A. ; Hanfland, Michael ; van Smaalen, Sander:
Scheelite CaWO 4 at high pressures.
In: Journal of Physics: Condensed Matter. Vol. 15 (2003) Issue 43 . - pp. 7261-7270.
DOI: https://doi.org/10.1088/0953-8984/15/43/010

Jordan, Nicola A. ; Battle, Peter D. ; van Smaalen, Sander ; Wunschel, Markus:
Structural Chemistry and Magnetic Properties of Incommensurate Sr1+x(CoxMn1-x)O3.
In: Journal of the American Chemical Society. Vol. 15 (2003) Issue 22 . - pp. 4262-4267.
DOI: https://doi.org/10.1021/cm031096

Marler, B. ; Daniels, Peter ; Sané i Muné, J.:
Synthesis and structure of RUB-35, a disordered material of the EUO-NES-NON family.
In: Microporous and Mesoporous Materials. Vol. 64 (2003) Issue 1-3 . - pp. 185-201.
DOI: https://doi.org/10.1016/S1387-1811(03)00466-9

Tamazyan, Rafael ; van Smaalen, Sander ; Vasilyeva, Inga Grigorevna ; Arnold, Heinrich:
Two-dimensionally modulated structure of the rare-earth polysulfide GdS 2-x (x = 0.18 ≃ 13/72).
In: Acta Crystallographica Section B. Vol. 59 (2003) Issue 6 . - pp. 709-719.
DOI: https://doi.org/10.1107/S0108768103022213

Wunschel, Markus:
X-ray powder diffraction studies at non-ambient conditions on the compounds In x Nb 3 Te 4 (x = 0,0.54) and Si[C(CH 3) 3] n[Si(CH 3) 3] 4-n (n = 0,1,2).
2003 . - VI, 173 p.
( Doctoral thesis, 2003 , Universität Bayreuth, Fakultät für Mathematik und Physik)

2002

Pilz, Katrin ; Estermann, Michael ; van Smaalen, Sander:
Automatic indexing of area-detector data of periodic and aperiodic crystals.
In: Journal of Applied Crystallography. Vol. 35 (2002) Issue 2 . - pp. 253-260.
DOI: https://doi.org/10.1107/S0021889802001838

Amami, Mongi ; van Smaalen, Sander ; Ben Salah, Abdelhamid:
Bis(trimethylammonium) tetrachloromercurate(II) at 343K.
In: Acta Crystallographica Section E. Vol. 58 (2002) Issue 8 . - m416-m419.
DOI: https://doi.org/10.1107/S160053680201214X

van Smaalen, Sander ; Daniels, Peter ; Galli, Federica ; Feyerherm, R. ; Dudzik, D. ; Nieuwenhuys, Gerard J. ; Mydosh, J. A.:
Charge-density waves in Er₅Ir₄Si₁₀ type compounds.
In: Journal de Physique 4. Vol. 12 (2002) Issue 9 . - pp. 347-350.
DOI: https://doi.org/10.1051/jp4:20020434

Galli, Federica ; Feyerherm, R. ; Hendrikx, R. W. A. ; Dudzik, E. ; Nieuwenhuys, Gerard J. ; Ramakrishnan, S. ; Brown, S. D. ; van Smaalen, Sander ; Mydosh, J. A.:
Coexistence of charge density wave and antiferromagnetism in Er5Ir4Si10.
In: Journal of Physics: Condensed Matter. Vol. 14 (2002) Issue 20 . - pp. 5067-5075.
DOI: https://doi.org/10.1088/0953-8984/14/20/302

Dusek, Michal ; Lüdecke, Jens ; van Smaalen, Sander:
Crystal structure of monophosphate tungsten bronze K1.33P4W8O32 at 110 K.
In: Journal of Materials Chemistry B. Vol. 12 (2002) Issue 5 . - pp. 1408-1414.
DOI: https://doi.org/10.1039/B109982P

Palatinus, Lukas ; van Smaalen, Sander:
The generalized F constraint in the maximum-entropy method : a study on simulated data.
In: Acta Crystallographica Section A. Vol. 58 (2002) Issue 6 . - pp. 559-567.
DOI: https://doi.org/10.1107/S0108767302015556

Pilz, Katrin ; Jobst, Andreas ; Lam, Erwin J. ; Lüdecke, Jens ; van Smaalen, Sander ; Bao, Jianren ; Bietsch, W. ; Schwoerer, Markus:
The glass transition in twinned ((phenyl)4As)2C60Cl crystals.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 217 (2002) Issue 2 . - pp. 78-82.
DOI: https://doi.org/10.1524/zkri.217.2.78.20629

Daniels, Peter ; Tamazyan, Rafael ; Kuntscher, Christine A. ; Dressel, Martin ; Lichtenberg, Frank ; van Smaalen, Sander:
The incommensurate modulation of the structure of Sr2Nb2O7.
In: Acta Crystallographica Section B. Vol. 58 (2002) Issue 6 . - pp. 970-976.
DOI: https://doi.org/10.1107/S010876810201741X

Jobst, Andreas ; van Smaalen, Sander:
Intersubsystem chemical bonds in the misfit layer compounds (LaS)1.13TaS2 and (LaS)1.14NbS2.
In: Acta Crystallographica Section B. Vol. 58 (2002) Issue 2 . - pp. 179-190.
DOI: https://doi.org/10.1107/S0108768101019280

Papageorgiou, Thomas ; Herrmannsdörfer, Thomas ; Dinnebier, Robert E. ; Mai, Timo ; Ernst, Tobias ; Wunschel, Markus ; Braun, Hans F.:
Magnetization anomalies in the superconducting state of RuSr2GdCu2O8 and the magnetic study of Sr2GdRuO6.
In: Physica C: Superconductivity and its Applications. Vol. 377 (2002) Issue 3 . - 383 - 392.
DOI: https://doi.org/10.1016/S0921-4534(01)01291-6

Tamazyan, Rafael ; van Smaalen, Sander ; Arsenov, A. ; Mukovskii, Yakov:
Monoclinic structure of La1-xSrxMnzO₃ (x=0.212,z=0.958).
In: Physical Review B. Vol. 66 (2002) Issue 22 . - p. 224111.
DOI: https://doi.org/10.1103/PhysRevB.66.224111

van Smaalen, Sander ; Daniels, Peter ; Palatinus, Lukas ; Kremer, Reinhard K.:
Orthorhombic versus monoclinic symmetry of the charge-ordered state of NaV₂O₅.
In: Physical Review B. Vol. 65 (2002) Issue 6 . - 060101.
DOI: https://doi.org/10.1103/PhysRevB.65.060101

Amami, Mongi ; van Smaalen, Sander ; Palatinus, Lukas ; Ben Salah, Abdelhamid ; Helluy, Xavier ; Sebald, Angelika:
Structural investigation of the phase transitions of [N(CH3)4]2HgCl4.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 217 (2002) Issue 10 . - pp. 532-541.
DOI: https://doi.org/10.1524/zkri.217.10.532.20790

Dinnebier, Robert E. ; Bernatowicz, Piotr ; Helluy, Xavier ; Sebald, Angelika ; Wunschel, Markus ; Fitch, Andy ; van Smaalen, Sander:
Structure of compounds E(SnMe3)4 (E = Si, Ge) as seen by high-resolution X-ray powder diffraction and solid-state NMR.
In: Acta Crystallographica Section B. Vol. 58 (2002) Issue 1 . - pp. 52-61.
DOI: https://doi.org/10.1107/S0108768101016688

Geupel, Sandra ; Pilz, Katrin ; van Smaalen, Sander ; Büllesfeld, Frank ; Prokofiev, Andrei ; Assmus, Wolf:
Synchrotron-radiation study of the two-leg spin-ladder (VO)2P2O7 at 120 K.
In: Acta Crystallographica Section C. Vol. 58 (2002) Issue 1 . - i9-i13.
DOI: https://doi.org/10.1107/S0108270101017553

Jaenicke-Roessler, U. ; Paufler, P. ; Zahn, G. ; Geupel, Sandra ; Behr, G. ; Bitterlich, H.:
Thermal expansion of RNi2B2C single crystals.
In: Journal of Alloys and Compounds. Vol. 333 (2002) Issue 1–2 . - 28 - 33.
DOI: https://doi.org/10.1016/S0925-8388(01)01703-0

2001

Jobst, Andreas:
Bestimmung der modulierten Strukturen von (LaS) 1.13 TaS 2 und (LaS) 1.14 NbS 2 mittels hochauflösender Röntgenbeugung, und Charakterisierung der Bindung zwischen den Teilsystemen.
2001 . - IV, 133 p.
( Doctoral thesis, 2001 , Universität Bayreuth, Fakultät für Mathematik und Physik)

Wunschel, Markus ; Dinnebier, Robert E. ; Carlson, Stefan ; van Smaalen, Sander:
Bulk modulus and non-uniform compression of Nb3Te4 and InxNb3Te4 (x < 1) channel compounds.
In: Acta Crystallographica Section B. Vol. 57 (2001) Issue 5 . - pp. 665-672.
DOI: https://doi.org/10.1107/S0108768101011685

Kisch, Horst ; Eisen, Bernhard ; Dinnebier, Robert E. ; Shankland, Kenneth ; David, William I. F. ; Knoch, Falk:
Chiral metal-dithiolene/viologen ion pairs : synthesis and electrical conductivity.
In: Chemistry : a European Journal. Vol. 7 (2001) Issue 3 . - pp. 738-748.
DOI: https://doi.org/10.1002/1521-3765(20010202)7:3<738::AID-CHEM738>3.0.CO;2-6

Tedesco, Consiglia ; Dinnebier, Robert E. ; Olbrich, Falk ; van Smaalen, Sander:
Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction.
In: Acta Crystallographica Section B. Vol. 57 (2001) Issue 5 . - pp. 673-679.
DOI: https://doi.org/10.1107/S010876810101237X

Wiegers, Gerrit A. ; de Boer, Jan L. ; Meetsma, Auke ; van Smaalen, Sander:
Domain structure and refinement of the triclinic superstructure of 1T-TaSe2 by single crystal X-ray diffraction.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 216 (2001) Issue 1 . - pp. 45-50.
DOI: https://doi.org/10.1524/zkri.216.1.45.18999

Wunschel, Markus ; Dinnebier, Robert E. ; van Smaalen, Sander:
Long term stability of a modern powder diffractometer.
In: Powder Diffraction. Vol. 16 (2001) Issue 3 . - pp. 149-152.
DOI: https://doi.org/10.1154/1.1313242

Schneider, Martin:
Maximum Entropie Methode zur Bestimmung der Elektronendichte modulierter Kristalle.
2001 . - VIII, 143 p.
( Doctoral thesis, 2001 , Universität Bayreuth, Fakultät für Mathematik und Physik)

Palatinus, Lukas ; van Smaalen, Sander:
Maximum Entropy Method in study of electron densities.
In: Materials Structure in Chemistry, Biology, Physics and Technology. Vol. 8 (2001) Issue 1a . - pp. 57-59.

Dertinger, Armin ; Dinnebier, Robert E. ; Kreyssig, A. ; Stephens, Peter W. ; Pagola, Silvina ; Loewenhaupt, M. ; van Smaalen, Sander ; Braun, Hans F.:
Microscopic changes in HoNi₂B₂C due to thermal treatment and its effect on superconductivity.
In: Physical Review B. Vol. 63 (2001) Issue 18 . - p. 184518.
DOI: https://doi.org/10.1103/PhysRevB.63.184518

Dusek, Michal ; Wunschel, Markus ; Dinnebier, Robert E. ; van Smaalen, Sander:
Refinement of modulated structures against X-ray powder diffraction data with JANA2000.
In: Journal of Applied Crystallography. Vol. 34 (2001) Issue 3 . - pp. 398-404.
DOI: https://doi.org/10.1107/S0021889801003302

Bagautdinov, Bagautdin ; Jobst, Andreas ; Lüdecke, Jens ; van Smaalen, Sander:
Structural basis for the phase transitions of Cs2HgCl4.
In: Acta Crystallographica Section B. Vol. 57 (2001) Issue 3 . - pp. 231-236.
DOI: https://doi.org/10.1107/S0108768100020322

van Smaalen, Sander ; Lam, Erwin J. ; Lüdecke, Jens:
Structure of the charge-density wave in (TaSe4)2I.
In: Journal of Physics: Condensed Matter. Vol. 13 (2001) Issue 44 . - pp. 9923-9936.
DOI: https://doi.org/10.1088/0953-8984/13/44/308

Lüdecke, Jens ; Jobst, Andreas ; Geupel, Sandra ; van Smaalen, Sander:
Structure of the two-dimensional incommensurate charge-density wave in (PO₂)₄(WO₃)₈ at 20 K.
In: Physical Review B. Vol. 64 (2001) Issue 10 . - p. 104105.
DOI: https://doi.org/10.1103/PhysRevB.64.104105

2000

Dinnebier, Robert E. ; Carlson, Stefan ; van Smaalen, Sander:
Bulk modulus and high-pressure crystal structures of tetrakis(trimethylsilyl)methane C[Si(CH3)3]4 determined by X-ray powder diffraction.
In: Acta Crystallographica Section B. Vol. 56 (2000) Issue 2 . - pp. 310-316.
DOI: https://doi.org/10.1107/S0108768199014044

Lüdecke, Jens ; Jobst, Andreas ; van Smaalen, Sander:
The CDW structure of the m=4 phosphate bronze (PO2)4(WO3)2m.
In: Europhysics Letters. Vol. 49 (2000) Issue 3 . - pp. 357-361.
DOI: https://doi.org/10.1209/epl/i2000-00156-5

Galli, Federica ; Ramakrishnan, S. ; Taniguchi, T. ; Nieuwenhuys, Gerard J. ; Mydosh, J. A. ; Geupel, Sandra ; Lüdecke, Jens ; van Smaalen, Sander:
Charge-Density-Wave Transitions in the Local-Moment Magnet Er₅Ir₄Si₁₀.
In: Physical Review Letters. Vol. 85 (2000) Issue 1 . - pp. 158-161.
DOI: https://doi.org/10.1103/PhysRevLett.85.158

van Smaalen, Sander ; Dinnebier, Robert E. ; Milletich, Ronald ; Kunz, Martin ; Holleman, Iwan ; von Helden, Gert ; Meijer, Gerard:
Compressibility of CO intercalated C60 crystals.
In: Chemical Physics Letters. Vol. 319 (2000) Issue 3–4 . - 283 - 286.
DOI: https://doi.org/10.1016/S0009-2614(00)00096-8

Dinnebier, Robert E. ; Wagner, Matthias ; Peters, Frank ; Shankland, Kenneth ; David, William I. F.:
Crystal Structure of the [(C5H4BMe2)2Fe]-4,4′-bipyridine Polymer from High Resolution X-Ray Powder Diffraction.
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 626 (2000) Issue 6 . - pp. 1400-1405.
DOI: https://doi.org/10.1002/(SICI)1521-3749(200006)626:6<1400::AID-ZAAC1400>3.0.CO;2-8

Immirzi, Attilio ; Tedesco, Consiglia ; Venditto, Vincenzo ; Recupero, Domenico ; van Smaalen, Sander:
Crystalline Structure of Isotactic Poly(vinylcyclobutane) from Fiber Diffraction Spectra.
In: Macromolecules. Vol. 33 (2000) Issue 1 . - pp. 125-129.
DOI: https://doi.org/10.1021/ma990296x

Schneider, Martin ; van Smaalen, Sander:
Discrete Fourier transform in arbitrary dimensions by a generalized Beever—Lipson algorithm.
In: Acta Crystallographica Section A. Vol. 56 (2000) Issue 3 . - pp. 248-251.
DOI: https://doi.org/10.1107/S0108767300000532

Dinnebier, Robert E. ; Schweiger, Manuela ; Bildstein, Benno ; Shankland, Kenneth ; David, William I. F. ; Jobst, Andreas ; van Smaalen, Sander:
The disordered structure of tetraferrocenyl-3-cumulene, (Fc)2C=C=C=C(Fc)2, by simulated annealing using synchrotron powder diffraction data.
In: Journal of Applied Crystallography. Vol. 33 (2000) Issue 5 . - pp. 1199-1207.
DOI: https://doi.org/10.1107/S0021889800007470

Lüdecke, Jens ; Schneider, Martin ; van Smaalen, Sander:
Independent q and 2q Distortions in the Incommensurately Modulated Low-Temperature Structure of NiTa2Se7.
In: Journal of Solid State Chemistry. Vol. 153 (2000) Issue 1 . - pp. 152-157.
DOI: 10.1006/jssc.2000.8766

Lüdecke, Jens ; Riedl, Edmund ; Dierl, Mathias ; Hosseini, Khalil ; van Smaalen, Sander:
Influence of niobium on the charge-density-wave transition of Ni(Ta1-xNbx)₂Se₇.
In: Physical Review B. Vol. 62 (2000) Issue 11 . - pp. 7057-7062.
DOI: https://doi.org/10.1103/PhysRevB.62.7057

Bietsch, W. ; Bao, Jianren ; Lüdecke, Jens ; van Smaalen, Sander:
Jahn–Teller distortion and merohedral disorder of C60−· as observed by ESR.
In: Chemical Physics Letters. Vol. 324 (2000) Issue 1–3 . - 37 - 42.
DOI: https://doi.org/10.1016/S0009-2614(00)00621-7

Dinnebier, Robert E.:
Long Standing Problems in Organometallic Chemistry Solved by Powder Diffraction.
In: Materials Science Forum. Vol. 321-324 (2000) . - pp. 1-13.
DOI: https://doi.org/10.4028/www.scientific.net/MSF.321-324.1

Dinnebier, Robert E. ; Sieger, Peter ; Nar, Herbert ; Shankland, Kenneth ; David, William I. F.:
Structural Characterization of Three Crystalline Modifications of Telmisartan by Single Crystal and High‐Resolution X‐ray Powder Diffraction.
In: Journal of Pharmaceutical Sciences. Vol. 89 (2000) Issue 11 . - 1465 - 1479.
DOI: https://doi.org/10.1002/1520-6017(200011)89:11<1465::AID-JPS9>3.0.CO;2-C

Stetzer, M. R. ; Heiney, P. A. ; Stephens, Peter W. ; Dinnebier, Robert E. ; Zhu, Q. ; McGhie, A. R. ; Strongin, R. M. ; Brandt, B. M. ; Smith, A. B.:
Structure and phase transitions of the 6,6-cyclopropane isomer of C₆₁H₂.
In: Physical Review B. Vol. 62 (2000) Issue 14 . - pp. 9305-9316.
DOI: https://doi.org/10.1103/PhysRevB.62.9305

van Smaalen, Sander ; Lüdecke, Jens:
The valence states of vanadium in the low-temperature superstructure of NaV₂O₅.
In: Europhysics Letters. Vol. 49 (2000) Issue 2 . - pp. 250-254.
DOI: https://doi.org/10.1209/epl/i2000-00141-0

1999

Lüdecke, Jens ; Jobst, Andreas ; van Smaalen, Sander ; Morré, Eckhart ; Geibel, Christoph ; Krane, Hans-Georg:
Acentric Low-Temperature Superstructure of NaV₂O₅.
In: Physical Review Letters. Vol. 82 (1999) . - pp. 3633-3636.
DOI: https://doi.org/10.1103/PhysRevLett.82.3633

Schneider, Martin ; van Smaalen, Sander:
Applications of the Maximum Entropy Method in Crystallography.
In: von der Linden, Wolfgang ; Dose, Volker ; Fischer, Rainer ; Preuss, Roland (ed.): Maximum Entropy and Bayesian Methods Garching, Germany 1998 : Proceedings of the 18th International Workshop on Maximum Entropy and Bayesian Methods of Statistical Analysis. - Dordrecht : Springer Netherlands, 1999 . - pp. 335-340 . - (Fundamental Theories of Physics ; 105 )
DOI: https://doi.org/10.1007/978-94-011-4710-1_33

van Smaalen, Sander:
Atomic valences in aperiodic crystals studied by the bond valence method.
In: Jelski, Daniel A. ; George, Thomas F. (ed.): Computational Studies of New Materials. - Singapore ; New Jersey ; London ; Hong Kong : World Scientific, 1999 . - pp. 273-294
DOI: https://doi.org/10.1142/9789812816658_0010

Handrosch, Carsten ; Dinnebier, Robert E. ; Bondarenko, Gennadj ; Bothe, Eberhard ; Heinemann, Frank ; Kisch, Horst:
Azobipyridinium Dications and Radical Monocations as Acceptors.
In: European Journal of Inorganic Chemistry. Vol. 1999 (1999) Issue 8 . - pp. 1259-1269.
DOI: https://doi.org/10.1002/(SICI)1099-0682(199908)1999:8<1259::AID-EJIC1259>3.0.CO;2-I

Katzke, Hannelore ; Kato, K. ; Dinnebier, Robert E.:
Calculation of the intensity distribution for one-dimensionally disordered LixV2O5 II : The disordered phase of ε′-Li0.620(3)V2O5 at 20 K1.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 214 (1999) Issue 7 . - pp. 398-401.
DOI: https://doi.org/10.1524/zkri.1999.214.7.398

Schmidt, Martin U. ; Dinnebier, Robert E.:
Combination of energy minimizations and rigid-body Rietveld refinement : the structure of 2,5-dihydroxybenzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one.
In: Journal of Applied Crystallography. Vol. 32 (1999) Issue 2 . - pp. 178-186.
DOI: https://doi.org/10.1107/S0021889898011157

Lüdecke, Jens ; van Smaalen, Sander ; Spijkerman, Albert ; de Boer, Jan L. ; Wiegers, Gerrit A.:
Commensurately modulated structure of 4Hb-TaSe₂ determined by x-ray crystal-structure refinement.
In: Physical Review B. Vol. 59 (1999) . - pp. 6063-6071.
DOI: https://doi.org/10.1103/PhysRevB.59.6063

Hoffmann, Bettina ; Milius, Wolfgang ; Voss, Gundula ; Wunschel, Markus ; van Smaalen, Sander ; Diele, Siegmar ; Platz, Gerhard:
Crystal structures and thermotropic properties of alkyl α-d-glucopyranosides and their hydrates.
In: Carbohydrate Research. Vol. 323 (1999) Issue 1–4 . - 192 - 201.
DOI: https://doi.org/10.1016/S0008-6215(99)00264-5

Dinnebier, Robert E. ; Schneider, Martin ; van Smaalen, Sander ; Olbrich, Falk ; Behrens, Ulrich:
Disorder determined by high-resolution powder diffraction : structure of pentamethylcyclopentadienyllithium.
In: Acta Crystallographica Section B. Vol. 55 (1999) . - pp. 35-44.
DOI: https://doi.org/10.1107/S0108768198007009

Bernatowicz, Piotr ; Dinnebier, Robert E. ; Helluy, Xavier ; Kümmerlen, Jörg ; Sebald, Angelika:
Dynamic disorder in solid tetrakis(trimethylstannyl)methane, C(SnMe3)4, investigated by one- and two-dimensional variable-temperature119Sn and13C NMR spectroscopy.
In: Applied Magnetic Resonance. Vol. 17 (1999) Issue 2 . - pp. 385-398.
DOI: https://doi.org/10.1007/BF03162173

Hosseini, Khalil ; Brütting, Wolfgang ; Schwoerer, Markus ; Riedel, E. ; van Smaalen, Sander ; Biljaković, K. ; Starešinić, Damir:
Glass-like behavior in the CDW state of the quasi-one-dimensional conductor K0.3MoO3.
In: Journal de Physique 4. Vol. 9 (1999) Issue PR10 . - Pr10-41.
DOI: https://doi.org/10.1051/jp4:19991009

Bagautdinov, Bagautdin ; Pilz, Katrin ; Lüdecke, Jens ; van Smaalen, Sander:
Modulated structures of Cs₂HgCl₄ : the 5a superstructure at 185 K and the 3c superstructure at 176 K.
In: Acta Crystallographica Section B. Vol. 55 (1999) Issue 6 . - pp. 886-895.
DOI: https://doi.org/10.1107/S0108768199008071

van Smaalen, Sander:
The morphology of quasicrystals, incommensurate composite crystals and modulated crystals derived from the broken-bond model.
In: Acta Crystallographica Section A. Vol. 55 (1999) . - pp. 401-412.
DOI: https://doi.org/10.1107/S0108767398010368

Dinnebier, Robert E. ; Dollase, Wayne A. ; Helluy, Xavier ; Kümmerlen, Jörg ; Sebald, Angelika ; Schmidt, Martin U. ; Pagola, Silvina ; Stephens, Peter W. ; van Smaalen, Sander:
Order—disorder phenomena determined by high-resolution powder diffraction : the structures of tetrakis(trimethylsilyl)methane C[Si(CH₃)₃]₄ and tetrakis(trimethylsilyl)silane Si[Si(CH₃)₃]₄.
In: Acta Crystallographica Section B. Vol. 55 (1999) Issue 6 . - pp. 1014-1029.
DOI: https://doi.org/10.1107/S0108768199006126

Dinnebier, Robert E.:
Rigid bodies in powder diffraction : A practical guide.
In: Powder Diffraction. Vol. 14 (1999) Issue 2 . - pp. 84-92.
DOI: https://doi.org/10.1017/S0885715600010356

Dinnebier, Robert E. ; Neander, Swen ; Behrens, Ulrich ; Olbrich, Falk:
Solid-State Structures of Base-Free Indenyllithium and Fluorenylsodium.
In: Organometallics. Vol. 18 (1999) Issue 15 . - pp. 2915-2918.
DOI: https://doi.org/10.1021/om990108r

van Smaalen, Sander:
Structural aspects of spin-chain and spin-ladder oxides.
In: Zeitschrift für Kristallographie : Crystalline Materials. Vol. 214 (1999) Issue 12 . - pp. 786-802.
DOI: https://doi.org/10.1524/zkri.1999.214.12.786

Dinnebier, Robert E. ; von Dreele, R. ; Stephens, Peter W. ; Jelonek, S. ; Sieler, J.:
Structure of sodium para-hydroxybenzoate, NaO2C-C6H4OH by powder diffraction : application of a phenomenological model of anisotropic peak width.
In: Journal of Applied Crystallography. Vol. 32 (1999) Issue 4 . - pp. 761-769.
DOI: https://doi.org/10.1107/S0021889899005233

van Smaalen, Sander ; Lüdecke, Jens:
Superspace approach to the superstructures of CDW compounds and low-dimensional magnets.
In: Journal de Physique 4. Vol. 9 (1999) Issue PR10 . - Pr10-371.
DOI: https://doi.org/10.1051/jp4:19991099

Beck, Horst P. ; Monzel, H. ; Haberkorn, R. ; Stephens, Peter W. ; Dinnebier, Robert E.:
Synthese und Kristallstruktur von Rb3PbCl5.
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 625 (1999) Issue 12 . - pp. 1998-2002.
DOI: https://doi.org/10.1002/(SICI)1521-3749(199912)625:12<1998::AID-ZAAC1998>3.0.CO;2-U

1998

van Smaalen, Sander ; Lamfers, Henk-Jan ; de Boer, Jan L.:
Diffuse scattering and order in quasi-one-dimensional molecular crystals.
In: Phase Transitions. Vol. 67 (1998) Issue 1 . - pp. 277-294.
DOI: https://doi.org/10.1080/01411599808219197

Bagautdinov, Bagautdin ; Lüdecke, Jens ; Schneider, Martin ; van Smaalen, Sander:
Disorder in the Crystal Structure of Cs₂HgCl₄ studied by the Maximum Entropy Method.
In: Acta Crystallographica Section B. Vol. 54 (1998) Issue 5 . - pp. 626-634.
DOI: https://doi.org/10.1107/S010876819800233X

Katzke, Hannelore ; Czank, M. ; Depmeier, Wulf ; van Smaalen, Sander:
An Electronmicroscopic Study of the Incommensurately Modulated Structure of ε-LiₓV₂O₅.
In: de Boissieu, Marc ; Verger-Gaugry, Jean-Louis ; Currat, Roland (ed.): Aperiodic '97 : proceedings of the International Conference on Aperiodic Crystals. - Singapore : World Scientific, 1998 . - pp. 341-345

Dinnebier, Robert E. ; Behrens, Ulrich ; Olbrich, Falk:
Lewis Base-Free Phenyllithium : Determination of the Solid-State Structure by Synchrotron Powder Diffraction.
In: Journal of the American Chemical Society. Vol. 120 (1998) Issue 7 . - pp. 1430-1433.
DOI: https://doi.org/10.1021/ja972816e

van Smaalen, Sander:
Morphology of Aperiodic Crystals.
In: de Boissieu, Marc ; Verger-Gaugry, Jean-Louis ; Currat, Roland (ed.): Aperiodic '97 : proceedings of the International Conference on Aperiodic Crystals. - Singapore : World Scientific, 1998 . - pp. 487-491

Gross, K. A. ; Berndt, Christopher C. ; Stephens, Peter W. ; Dinnebier, Robert E.:
Oxyapatite in hydroxyapatite coatings.
In: Journal of Materials Science. Vol. 33 (1998) Issue 15 . - pp. 3985-3991.
DOI: https://doi.org/10.1023/A:1004605014652

van Smaalen, Sander ; Dinnebier, Robert E. ; Schnelle, W. ; Holleman, Iwan ; von Helden, Gert ; Meijer, Gerard:
Phase transitions of CO-intercalated C 60 crystals.
In: Europhysics Letters. Vol. 43 (1998) Issue 3 . - pp. 302-307.
DOI: https://doi.org/10.1209/epl/i1998-00356-y

van Smaalen, Sander ; Dinnebier, Robert E. ; Holleman, Iwan ; von Helden, Gert ; Meijer, Gerard:
Rotational order in CO-intercalated C₆₀ crystals.
In: Physical Review B. Vol. 57 (1998) . - pp. 6321-6324.
DOI: https://doi.org/10.1103/PhysRevB.57.6321

Beck, Horst P. ; Schramm, Manfred ; Haberkorn, Robert ; Dinnebier, Robert E. ; Stephens, Peter W.:
Synthesis and Crystal Structure of Rb₆Pb₅Cl₁₆.
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 624 (1998) Issue 3 . - pp. 393-398.
DOI: https://doi.org/10.1002/(SICI)1521-3749(199803)624:3<393::AID-ZAAC393>3.0.CO;2-V

Schmidt, Max W. ; Finger, Larry W. ; Angel, Ross J. ; Dinnebier, Robert E.:
Synthesis, crystal structure, and phase relations of AlSiO ₃ OH, a high-pressure hydrous phase.
In: American Mineralogist. Vol. 83 (1998) Issue 7-8 . - pp. 881-888.
DOI: https://doi.org/10.2138/am-1998-7-820

1997

Dinnebier, Robert E. ; Olbrich, Falk ; van Smaalen, Sander ; Stephens, Peter W.:
Ab Initio Structure Determination of Two Polymorphs of Cyclopentadienylrubidium in a Single Powder Pattern.
In: Acta Crystallographica Section B. Vol. 53 (1997) Issue 1 . - pp. 153-158.
DOI: https://doi.org/10.1107/S0108768196010555

Bohle, D. Scott ; Dinnebier, Robert E. ; Madsen, Sara K. ; Stephens, Peter W.:
Characterization of the products of the heme detoxification pathway in malarial late trophozoites by X-ray diffraction.
In: The Journal of Biological Chemistry. Vol. 272 (1997) . - pp. 713-716.
DOI: https://doi.org/10.1074/jbc.272.2.713

Dinnebier, Robert E. ; Olbrich, Falk ; Bendele, G. M.:
Cyclopentadienylcaesium by High-Resolution X-ray Powder Diffraction.
In: Acta Crystallographica Section C. Vol. 53 (1997) Issue 6 . - pp. 699-701.
DOI: https://doi.org/10.1107/S0108270197001984

Dinnebier, Robert E. ; Pink, Maren ; Sieler, J. ; Stephens, Peter W.:
Novel Alkali-Metal Coordination in Phenoxides : Powder Diffraction Results on C₆H₅OM (M = Li, Na, K, Rb, Cs).
In: Inorganic Chemistry. Vol. 36 (1997) Issue 16 . - pp. 3398-3401.
DOI: https://doi.org/10.1021/ic961385i

Katzke, Hannelore ; Czank, M. ; Depmeier, Wulf ; van Smaalen, Sander:
On the incommensurately modulated structure of ∊′-LiₓV₂O₅ at room temperature.
In: Philosophical Magazine Part B. Vol. 75 (1997) Issue 5 . - pp. 757-767.
DOI: https://doi.org/10.1080/13642819708202352

Dinnebier, Robert E. ; Behrens, Ulrich ; Olbrich, Falk:
Solid State Structures of Cyclopentadienyllithium, -sodium, and -potassium : determination by High-Resolution Powder Diffraction.
In: Organometallics. Vol. 16 (1997) Issue 17 . - pp. 3855-3858.
DOI: https://doi.org/10.1021/om9700122

Katzke, Hannelore ; Czank, M. ; Depmeier, Wulf ; van Smaalen, Sander:
The stoichiometric dependence of the modulation wave vector in the incommensurately modulated structures of ∈-LiₓV₂O₅ and ∈ʻ-LiₓV₂O₅.
In: Journal of Physics: Condensed Matter. Vol. 9 (1997) Issue 29 . - pp. 6231-6239.
DOI: https://doi.org/10.1088/0953-8984/9/29/008

Barnes, Christopher M. ; Bohle, D. Scott ; Dinnebier, Robert E. ; Madsen, Sara K. ; Stephens, Peter W.:
Structural and Spectroscopic Studies of Two Phases of the Organometallic Chain Polymer [Ru₂{μ₂:μ₂:η²-O₂PMe₂}₂(CO)₄]n.
In: Inorganic Chemistry. Vol. 36 (1997) Issue 25 . - pp. 5793-5798.
DOI: https://doi.org/10.1021/ic970265n

van Smaalen, Sander ; Dinnebier, Robert E. ; Katzke, Hannelore ; Depmeier, Wulf:
Structural Characterization of the High-Temperature Phase Transitions in Ca₈[Al₁₂O₂₄](MoO₄)₂Aluminate Sodalite Using X-ray Powder Diffraction.
In: Journal of Solid State Chemistry. Vol. 129 (1997) Issue 1 . - pp. 130-143.
DOI: https://doi.org/10.1006/jssc.1996.7251

Spijkerman, Albert ; de Boer, Jan L. ; Meetsma, Auke ; Wiegers, Gerrit A. ; van Smaalen, Sander:
X-ray crystal-structure refinement of the nearly commensurate phase of 1T-TaS₂ in (3+2)-dimensional superspace.
In: Physical Review B. Vol. 56 (1997) . - pp. 13757-13767.
DOI: https://doi.org/10.1103/PhysRevB.56.13757

1996

You-De, Mo ; Zheng-Qing, Fu ; Hai-Fu, Fan ; van Smaalen, Sander ; Lam, Erwin J. ; Beurskens, Paul T.:
Direct Methods for Incommensurate Intergrowth Compounds. III. Solving the Average Structure in Multidimensional Space.
In: Acta Crystallographica Section A. Vol. 52 (1996) . - pp. 640-644.
DOI: https://doi.org/10.1107/S0108767396003479

Schmicker, D. ; van Smaalen, Sander:
Dynamical Behavior of Aperiodic Intergrowth Crystals.
In: International Journal of Modern Physics B. Vol. 10 (1996) Issue 17 . - pp. 2049-2080.
DOI: https://doi.org/10.1142/S0217979296000933

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Institutions of the University of BayreuthFaculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography