Information card for entry 8102998

Structure parameters

• Formula: B Ca Fe H3 O10 P2
• Calculated formula: B Ca Fe H2 O10 P2
• Title of publication: Crystal structure of calcium iron(II) hydrogenmonophosphate- dihydrogenmonoborate-monophosphate, CaFe[BP2O7(OH)3]
• Authors of publication: Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 335
• a: 10.2332 ± 0.0015 Å
• b: 8.2391 ± 0.0008 Å
• c: 9.1587 ± 0.0012 Å
• α: 90°
• β: 117.069 ± 0.006°
• γ: 90°
• Cell volume: 687.61 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No