Information card for entry 1563020

Structure parameters

• Formula: Ba H6 O17 P4 V2
• Calculated formula: Ba H4 O17 P4 V2
• Title of publication: Investigation on pseudosymmetry, twinning and disorder in crystal structure determinations: Ba(H2O)M2III[PO3(OH)]4 (M=Fe, V) as examples
• Authors of publication: Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 187
• Pages of publication: 89 - 96
• a: 9.474 ± 0.0016 Å
• b: 7.9031 ± 0.0013 Å
• c: 9.4592 ± 0.0016 Å
• α: 90°
• β: 117.636 ± 0.003°
• γ: 90°
• Cell volume: 627.45 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No