Information card for entry 8102947

Structure parameters

• Formula: B2 H2 K2 O18 P4 Sc2
• Calculated formula: B2 H2 K2 O18 P4 Sc2
• SMILES: [B]1(OP(=O)([O-])[O-])(OP(=O)(O[B](OP(=O)([O-])[O-])(OP(=O)(O1)[O-])O)[O-])O.[K+].[Sc+3].[K+].[Sc+3]
• Title of publication: Crystal structure of potassium scandium (monophosphate-hydrogenmonoborate- monophosphate), KSc[BP~2~O~8~(OH)]
• Authors of publication: Menezes, P. W.; Hoffmann, S.; Prots, Yu.; Kniep, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 251 - 252
• a: 5.2696 ± 0.0002 Å
• b: 8.2739 ± 0.0008 Å
• c: 8.389 ± 0.0005 Å
• α: 88.216 ± 0.011°
• β: 79.701 ± 0.006°
• γ: 86.667 ± 0.011°
• Cell volume: 359.18 ± 0.04 ų
• Cell temperature: 295.15 K
• Ambient diffraction temperature: 295.15 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 significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No