Information card for entry 1562111

Structure parameters

• Common name: Dicesium copper dioxovanadium (IV) Bis (diphosphate (V))
• Formula: Cs8 Cu4.4 O63.6 P16 V7.6
• Calculated formula: Cs8 Cu4.4 O63.6 P16 V7.6
• Title of publication: A cesium copper vanadyl-diphosphate: Synthesis, crystal structure and physical properties
• Authors of publication: Shvanskaya, Larisa; Yakubovich, Olga; Bychkov, Andrey; Shcherbakov, Vasiliy; Golovanov, Alexey; Zvereva, Elena; Volkova, Olga; Vasiliev, Alexander
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 222
• Pages of publication: 44 - 52
• a: 13.7364 ± 0.0002 Å
• b: 9.2666 ± 0.0002 Å
• c: 11.5678 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472.46 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes