Information card for entry 4001164

Structure parameters

• Formula: B1.5 H3.42 Na O7.96 P V0.5
• Calculated formula: B1.5 H0.5 Na O7.95833 P V0.5
• Title of publication: Na2[VB3P2O12(OH)]·2.92H2O: A New Open-Framework Vanadium Borophosphate Containing Extra-Large 16-Ring Pore Openings and 128166Super Cavities Synthesized by Using the Boric Acid Flux Method
• Authors of publication: Yang, Weiting; Li, Jiyang; Pan, Qinhe; Jin, Zhao; Yu, Jihong; Xu, Ruren
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 4900
• a: 20.1007 ± 0.0007 Å
• b: 20.1007 ± 0.0007 Å
• c: 20.1007 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8121.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No