Information card for entry 2012418

Structure parameters

• Common name: Vanadyl pyrophosphate
• Chemical name: Oxovanadium(IV) diphosphate
• Formula: O9 P2 V2
• Calculated formula: O9 P2 V2
• Title of publication: Synchrotron-radiation study of the two-leg spin-ladder (VO)~2~P~2~O~7~ at 120K
• Authors of publication: Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: i9 - i13
• a: 7.7004 ± 0.0004 Å
• b: 9.5777 ± 0.0005 Å
• c: 16.5825 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222.99 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.70843 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes