Information card for entry 2017581

Structure parameters

• Chemical name: pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate)
• Formula: Ba5 Cl4 H16 O48 P8 V8
• Calculated formula: Ba5 Cl4 H16 O48 P8 V8
• Title of publication: Ba~5~Cl~4~(H~2~O)~8~(VPO~5~)~8~: a novel three-dimensional framework solid
• Authors of publication: Zhang, Ai-Yun; Zheng, Juan; Wang, Qiu-Fen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: i22 - i24
• a: 13.5073 ± 0.0008 Å
• b: 8.8803 ± 0.0005 Å
• c: 35.482 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4256 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes