ERef Bayreuth

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Institutions of the University of Bayreuth
Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen

University of Bayreuth (55812)
- Faculties (52344)
  - Faculty of Mathematics, Physics und Computer Science (8351)
    - Group Material Sciences (425)
      - Chair Crystallography (367)
        Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen (225)

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Number of items at this level: 225.

2023

van Smaalen, Sander:
Aperiodic crystals and their atomic structures in superspace : an introduction.
In: Rendiconti Lincei. Scienze Fisiche e Naturali. Vol. 34 (1 September 2023) Issue 3 . - pp. 681-688.
DOI: https://doi.org/10.1007/s12210-023-01167-z

Ramakrishnan, Sitaram ; Bao, Jinke ; Eisele, Claudio ; Patra, Bikash ; Nohara, Minoru ; Bag, Biplab ; Noohinejad, Leila ; Tolkiehn, Martin ; Paulmann, Carsten ; Schaller, Achim ; Rekis, Toms ; Kotla, Surya Rohith ; Schönleber, Andreas ; Thamizhavel, Arumugam ; Singh, Bahadur ; Ramakrishnan, Srinivasan ; van Smaalen, Sander:
Coupling between Charge Density Wave Ordering and Magnetism in Ho₂Ir₃Si₅.
In: Chemistry of Materials. Vol. 35 (2023) Issue 5 . - pp. 1980-1990.
DOI: https://doi.org/10.1021/acs.chemmater.2c03297

Ramakrishnan, Sitaram ; Matteppanavar, Shidaling ; Schönleber, Andreas ; Patra, Bikash ; Singh, Birender ; Thamizhavel, Arumugam ; Singh, Bahadur ; Ramakrishnan, Srinivasan ; van Smaalen, Sander:
Realization of Z₂ Topological Metal in Single-Crystalline Nickel Deficient NiV₂Se₄.
In: Annalen der Physik. (2023) . - 2200611.
DOI: https://doi.org/10.1002/andp.202200611

Noohinejad, Leila ; van Smaalen, Sander ; Paulmann, Carsten ; Tolkiehn, Martin:
Superspace approach helps: Determination of proton dynamics in the phase transition of modulated supramolecular ferroelectrics : 5,5'-dimethyl-2,2'-bipyridine and bromanilic acid.
In: CrystEngComm. Vol. 25 (2023) Issue 23 . - pp. 4539-4549.
DOI: https://doi.org/10.1039/D3CE00458A

2022

Dey, Somnath ; Schönleber, Andreas ; van Smaalen, Sander ; Morgenroth, Wolfgang ; Krebs Larsen, Finn:
Incommensurate Phase in Λ-cobalt (III) Sepulchrate Trinitrate Governed by Highly Competitive N−H⋅⋅⋅O and C−H⋅⋅⋅O Hydrogen Bond Networks.
In: Chemistry : a European Journal. Vol. 28 (2022) Issue 13 . - e202104151.
DOI: https://doi.org/10.1002/chem.202104151

Sasmal, Souvik ; Saini, Vikas ; Ramakrishnan, Sitaram ; Dwari, Gourav ; Maity, Bishal Baran ; Bao, Jin-Ke ; Mondal, Rajib ; Tripathi, Vikram ; van Smaalen, Sander ; Singh, Bahadur ; Thamizhavel, Arumugam:
Observation of multilayer quantum Hall effect in the charge density wave material CaCu₄As₂.
In: Physical Review Research. Vol. 4 (2022) Issue 1 . - No. L012011.
DOI: https://doi.org/10.1103/PhysRevResearch.4.L012011

Ramakrishnan, Sitaram ; Kotla, Surya Rohith ; Rekis, Toms ; Bao, Jin-Ke ; Eisele, Claudio ; Noohinejad, Leila ; Tolkiehn, Martin ; Paulmann, Carsten ; Singh, Birender ; Verma, Rahul ; Bag, Biplab ; Kulkarni, Ruta ; Thamizhavel, Arumugam ; Singh, Bahadur ; Ramakrishnan, Srinivasan ; van Smaalen, Sander:
Orthorhombic charge density wave on the tetragonal lattice of EuAl₄.
In: IUCrJ. Vol. 9 (2022) Issue 3 . - pp. 378-385.
DOI: https://doi.org/10.1107/S2052252522003888

Schaller, Achim ; Bykov, Maxim ; Bykova, Elena ; Glazyrin, Konstantin ; van Smaalen, Sander:
Pressurizing the van der Waals magnet FeOCl at low temperatures : Phase transitions and structural evolution.
In: Physical Review B. Vol. 105 (2022) Issue 18 . - No. 184109.
DOI: https://doi.org/10.1103/PhysRevB.105.184109

Rekis, Toms ; Ramakrishnan, Sitaram ; Kotla, Surya Rohith ; Bao, Jin-Ke ; Eisele, Claudio ; Schönleber, Andreas ; Noohinejad, Leila ; Paulmann, Carsten ; Tolkiehn, Martin ; van Smaalen, Sander:
Une étude cristallographique : superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl.
In: CrystEngComm. Vol. 24 (2022) Issue 3 . - pp. 512-517.
DOI: https://doi.org/10.1039/D1CE01223A

2021

Fedotenko, Timofey:
Laser heating setup with high-magnification imaging for studies of physical and chemical phenomena up to ultra-high pressures in diamond anvil cells.
Bayreuth , 2021 . - 156 p.
( Doctoral thesis, 2021 , Universität Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)
DOI: https://doi.org/10.15495/EPub_UBT_00005724

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. ; Bin Masood, Talha ; 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. Vol. 126 (2021) Issue 17 . - 175501.
DOI: https://doi.org/10.1103/PhysRevLett.126.175501

Ramakrishnan, Sitaram ; Schönleber, Andreas ; Bao, Jin-Ke ; Rekis, Toms ; Kotla, Surya Rohith ; Schaller, Achim ; van Smaalen, Sander ; Noohinejad, Leila ; Tolkiehn, Martin ; Paulmann, Carsten ; Sangeetha, N. S. ; Pal, Dilip ; Thamizhavel, Arumugam ; Ramakrishnan, Srinivasan:
Modulated crystal structure of the atypical charge density wave state of single-crystal Lu₂Ir₃Si₅.
In: Physical Review B. Vol. 104 (2021) Issue 5 . - 054116.
DOI: https://doi.org/10.1103/PhysRevB.104.054116

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

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

Rekis, Toms ; Schaller, Achim ; Kotla, Surya Rohith ; Schönleber, Andreas ; Noohinejad, Leila ; Tolkiehn, Martin ; Paulmann, Carsten ; van Smaalen, Sander:
Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate.
In: IUCrJ. Vol. 8 (2021) Issue 1 . - pp. 139-147.
DOI: https://doi.org/10.15495/EPub_UBT_00005614

Bao, Jin-Ke ; Zheng, Huihuo ; Wen, Jianguo ; Ramakrishnan, Sitaram ; Zheng, Hao ; Jiang, Jidong Samuel ; Bugaris, Daniel ; Cao, Gang ; Chung, Duck Young ; van Smaalen, Sander ; Kanatzidis, Mercouri G.:
Superconductivity in Y₄RuGe₈ with a Vacancy-Ordered CeNiSi₂-Type Superstructure.
In: Chemistry of Materials. Vol. 33 (2021) Issue 19 . - pp. 7839-7847.
DOI: https://doi.org/10.1021/acs.chemmater.1c02488

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 (2021) Issue 1 . - pp. 131-137.
DOI: https://doi.org/10.1107/S2052520620016650

Rekis, Toms ; Schönleber, Andreas ; Noohinejad, Leila ; Tolkiehn, Martin ; Paulmann, Carsten ; van Smaalen, Sander:
Toward Understanding High-Z' Organic Molecular Crystals through the Superspace Method : The Example of Glycyl-l-valine.
In: Crystal Growth & Design. Vol. 21 (2021) Issue 4 . - pp. 2324-2331.
DOI: https://doi.org/10.1021/acs.cgd.0c01731

2020

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

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

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

Eisele, Claudio ; Hübschle, Christian B. ; Mondal, Swastik ; Dey, Somnath ; van Smaalen, Sander ; Paulmann, Carsten:
Boranes : The Boron Subhydride B₁₀₄.₆₇H₃ with a Distorted β-Boron Crystal Structure.
In: Inorganic Chemistry. Vol. 59 (2020) Issue 18 . - pp. 13295-13300.
DOI: https://doi.org/10.1021/acs.inorgchem.0c01668

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 (2020) Issue 3 . - pp. 450-468.
DOI: https://doi.org/10.1107/S2052520620005533

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 . - 542.
DOI: https://doi.org/10.3390/min10060542

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 (2020) Issue 21 . - 216001.
DOI: https://doi.org/10.1103/PhysRevLett.124.216001

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 (2020) Issue 7 . - No. 2000147.
DOI: https://doi.org/10.1002/andp.202000147

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 (2020) Issue 30 . - No. 305801.
DOI: https://doi.org/10.1088/1361-648x/ab8425

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 (2020) Issue 13 . - 134109.
DOI: https://doi.org/10.1103/PhysRevB.102.134109

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

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 (2020) Issue 16 . - 165109.
DOI: https://doi.org/10.1103/PhysRevB.102.165109

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 . - e2019GL085476.
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 . - 1055.
DOI: https://doi.org/10.3390/min10121055

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

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 Er₂Ir₃Si₅.
In: Physical Review B. Vol. 101 (2020) Issue 6 . - No. 060101.
DOI: https://doi.org/10.1103/PhysRevB.101.060101

2019

Ramakrishnan, Sitaram ; Schönleber, Andreas ; Hübschle, Christian B. ; Eisele, Claudio ; Schaller, Achim ; 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 CuV₂S₄.
In: Physical Review B. Vol. 99 (2019) Issue 19 . - No. 195140.
DOI: https://doi.org/10.1103/PhysRevB.99.195140

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 (2019) . - 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 . - 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

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

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 La₃Co₄Sn₁₃.
In: Physical Review Materials. Vol. 3 (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 (2019) Issue 11 . - pp. 6627-6635.
DOI: https://doi.org/10.1021/acs.cgd.9b01035

2018

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

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 (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

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

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 (2018) Issue 3 . - pp. 1394-1400.
DOI: https://doi.org/10.1021/acs.cgd.7b01295

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 . - No. 113606.
DOI: https://doi.org/10.1103/PhysRevMaterials.2.113606

2017

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)

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 (2017) Issue 11 . - No. 355.
DOI: https://doi.org/10.1007/s11051-017-4039-8

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

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 (2017) Issue 5 . - pp. 836-843.
DOI: https://doi.org/10.1107/S2052520617009398

2016

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

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 (2016) Issue 5 . - pp. 501-508.
DOI: https://doi.org/10.1038/nchem.2478

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 (2016) . - 19330.
DOI: https://doi.org/10.1038/srep19330

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

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 (2016) . - pp. 120-124.
DOI: https://doi.org/10.1016/j.jssc.2015.10.021

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 (2016) Issue 48 . - pp. 15053-15057.
DOI: https://doi.org/10.1002/anie.201608530

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

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 (2016) . - pp. 312-327.
DOI: https://doi.org/10.3762/bjnano.7.30

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)

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 (2015) . - pp. 155-161.
DOI: https://doi.org/10.1016/j.jallcom.2014.09.210

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 (2015) . - 9647.
DOI: https://doi.org/10.1038/srep09647

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

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 (2015) Issue 2 . - pp. 147-150.
DOI: https://doi.org/10.1007/s11706-015-0284-x

Ali, Sk Imran ; Mondal, Swastik ; van Smaalen, Sander:
Synthesis, Superstructure, and Vacancy-Ordering in 2H-CuₓTa₁₊ᵧSe₂ (x, y = 0.52, 0 and 0.16, 0.08).
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 641 (2015) Issue 2 . - pp. 464-469.
DOI: https://doi.org/10.1002/zaac.201400335

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 (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 (2014) Issue 4 . - pp. 652-659.
DOI: https://doi.org/10.1107/S2052520614007707

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 (2014) Issue 4 . - No. 2370.
DOI: https://doi.org/10.1007/s11051-014-2370-x

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 (2014) Issue 5 . - pp. 931-934.
DOI: https://doi.org/10.1002/zaac.201300678

2013

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) Issue 2 . - 024118.
DOI: https://doi.org/10.1103/PhysRevB.88.024118

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) Issue 1 . - 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) . - pp. 430-436.
DOI: https://doi.org/10.1016/j.jallcom.2012.11.074

Prathapa, Siriyara Jagannatha ; 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 (2013) Issue 11 . - pp. 2047-2056.
DOI: https://doi.org/10.1002/zaac.201200535

Wölfel, Alexander ; Lichtenberg, Frank ; van Smaalen, Sander:
Two-dimensional magnetic clusters in Laₙ(Ti₁₋ₓFeₓ)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 . - No. 076003.
DOI: https://doi.org/10.1088/0953-8984/25/7/076003

2012

Davaasuren, Bambar ; Dashjav, Enkhtsetseg ; Kniep, Rüdiger ; Kreiner, Guido ; Schnelle, Walter ; Akselrud, Lev ; van Smaalen, Sander ; Wölfel, Alexander:
Dy₀.₆₄{Dy₅[Fe₂C₉]} : A complex carbide with a composite structure.
In: Journal of Solid State Chemistry. Vol. 190 (2012) . - pp. 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

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) Issue 13 . - No. 134428.
DOI: https://doi.org/10.1103/PhysRevB.86.134428

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

2011

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) Issue 21 . - 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

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

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

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

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

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

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) Issue 5 . - No. 054120.
DOI: https://doi.org/10.1103/PhysRevB.82.054120

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) Issue 14 . - No. 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

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

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 . - No. 045124.
DOI: https://doi.org/10.1103/PhysRevB.81.045124

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 . - No. 012012.
DOI: https://doi.org/10.1088/1742-6596/226/1/012012

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) Issue 13 . - No. 134117.
DOI: https://doi.org/10.1103/PhysRevB.82.134117

2009

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

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 . - 181912.
DOI: https://doi.org/10.1063/1.3131784

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

van Smaalen, Sander ; Netzel, Jeanette:
The maximum entropy method in accurate charge-density studies.
In: Physica Scripta. Vol. 79 (2009) Issue 4 . - No. 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 . - No. 048305.
DOI: https://doi.org/10.1088/0031-8949/79/04/048305

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

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 (2009) Issue 14 . - No. 144416.
DOI: https://doi.org/10.1103/PhysRevB.80.144416

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 (2009) Issue 6 . - No. 064426.
DOI: https://doi.org/10.1103/PhysRevB.80.064426

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 (2009) Issue 12 . - pp. 2675-2697.
DOI: https://doi.org/10.1002/hlca.200900123

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 . - 185501.
DOI: https://doi.org/10.1103/PhysRevLett.102.185501

2008

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 ; 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 ; 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 . - 132506.
DOI: https://doi.org/10.1063/1.2906381

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 (2008) Issue 3 . - No. 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 (2008) Issue 9 . - No. 094117.
DOI: https://doi.org/10.1103/PhysRevB.77.094117

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 (2008) Issue 8 . - pp. 1840-1847.
DOI: https://doi.org/10.1016/j.jssc.2008.03.033

2007

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

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 . - No. 346208.
DOI: https://doi.org/10.1088/0953-8984/19/34/346208

Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Solozhenko, Vladimir L.:
Comment on "Synthesis of Ultra-Incompressible Superhard Rhenium Diboride at Ambient Pressure".
In: Science. Vol. 318 (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 (2007) Issue 20 . - No. 205111.
DOI: https://doi.org/10.1103/PhysRevB.76.205111

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 (2007) Issue 18 . - No. 184114.
DOI: https://doi.org/10.1103/PhysRevB.75.184114

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

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 . - No. 245124.
DOI: https://doi.org/10.1103/PhysRevB.75.245124

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 (2007) Issue 24 . - No. 241101.
DOI: https://doi.org/10.1103/PhysRevB.76.241101

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 (2007) Issue 16 . - 165505.
DOI: https://doi.org/10.1103/PhysRevLett.99.165505

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

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 (2007) Issue 1–2 . - pp. 83-89.
DOI: https://doi.org/10.1016/j.pepi.2007.06.006

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 . - pp. 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

Guevarra, Jonathan ; Schönleber, Andreas ; van Smaalen, Sander ; Lichtenberg, Frank:
Superspace description of the crystal structures of Caₙ(Nb,Ti)ₙO₃ₙ₊₂(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 . - No. 245114.
DOI: https://doi.org/10.1103/PhysRevB.75.245114

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

2006

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) Issue 10 . - No. 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) Issue 21 . - No. 214410.
DOI: https://doi.org/10.1103/PhysRevB.73.214410

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

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 . - pp. 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 . - pp. 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 . - No. 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 . - No. 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 . - No. 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 . - No. 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 . - No. 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 . - pp. 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 . - No. 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 . - No. 125105.
DOI: https://doi.org/10.1103/PhysRevB.67.125105

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: Chemistry of Materials. Vol. 15 (2003) Issue 22 . - pp. 4262-4267.
DOI: https://doi.org/10.1021/cm031096

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. 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

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 . - No. 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 . - No. 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

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

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 . - No. 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 . - No. 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

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 . - pp. 37-42.
DOI: https://doi.org/10.1016/S0009-2614(00)00621-7

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

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) Issue 9 . - 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

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 . - pp. 41-43.
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

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

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 . - pp. 371-373.
DOI: https://doi.org/10.1051/jp4:19991099

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