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Synchrotron-radiation study of the two-leg spin-ladder (VO)2P2O7 at 120 K

Title data

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.
ISSN 1600-5759
DOI: https://doi.org/10.1107/S0108270101017553

Abstract in another language

The crystal structure of the ambient-pressure phase of vanadyl pyrophosphate, (VO)2P2O7, has been precisely determined at 120 K from synchrotron X-ray diffraction data measured on a high-quality single crystal. The structure refinement unambiguously establishes the orthorhombic space group Pca2(1) as the true crystallographic symmetry. Moreover, it improves the accuracy of previously published atomic coordinates by one order of magnitude, and provides reliable anisotropic displacement parameters for all atoms. Along the a axis, the structure consists of infinite two-leg ladders of vanadyl cations, (VO)2+, which are separated by pyrophosphate anions, (P2O7)4-. Parallel to the c axis, the unit cell comprises two alternating crystallographically inequivalent chains of edge-sharing VO5 square pyramids bridged by PO4 double tetrahedra. No structural phase transition has been observed in the temperature range between 300 and 120 K.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 21 Mar 2016 11:23
Last Modified: 21 Mar 2016 11:23
URI: https://eref.uni-bayreuth.de/id/eprint/31932