Information card for entry 8102993

Structure parameters

• Formula: B2 H2 K2 O18 P4 V2
• Calculated formula: B2 H2 K2 O18 P4 V2
• SMILES: [B]1(OP(=O)(O[B](OP(=O)([O-])O1)(OP(=O)([O-])[O-])O)[O-])(OP(=O)([O-])[O-])O.[K+].[K+].[V+3].[V+3]
• Title of publication: Crystal structure of potassium vanadium (monophosphate-hydrogenmonoborate-monophosphate), KV[BP2O8(OH)]
• Authors of publication: Zhi-Sheng Lin; Ya-Xi Huang; Yurii Prots; Jing-Tai Zhao; Rüdiger Kniep
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 323
• a: 5.1647 ± 0.0001 Å
• b: 8.0585 ± 0.0002 Å
• c: 8.3567 ± 0.0002 Å
• α: 86.847 ± 0.004°
• β: 80.196 ± 0.003°
• γ: 86.33 ± 0.003°
• Cell volume: 341.677 ± 0.014 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No