Information card for entry 2017524

Structure parameters

• Chemical name: dicaesium tris[oxidovanadate(IV)] hydrogenphosphate dihydrate
• Formula: Cs2 O21 P4 V3
• Calculated formula: Cs2 O21 P4 V3
• Title of publication: Two caesium vanadium hydrogenphosphates with tunnelled structures: Cs~2~V~2~O~3~(PO~4~)(HPO~4~) and Cs~2~[(VO)~3~(HPO~4~)~4~(H~2~O)]·H~2~O
• Authors of publication: Gautier, Romain; Colin, Jean-François; Le Fur, Eric
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: i12 - i15
• a: 12.5465 ± 0.0001 Å
• b: 11.9181 ± 0.0001 Å
• c: 12.6531 ± 0.0001 Å
• α: 90°
• β: 96.7859 ± 0.0006°
• γ: 90°
• Cell volume: 1878.77 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes