Information card for entry 8102999

Structure parameters

• Formula: B Ba Fe H O9 P2
• Calculated formula: B Ba Fe O9 P2
• Title of publication: Crystal structure of barium iron(II) (monophosphate- hydrogenmonoborate-monophosphate), BaFe[BP2O8(OH)]
• 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: 337
• a: 5.3393 ± 0.0004 Å
• b: 8.0179 ± 0.0009 Å
• c: 8.3443 ± 0.001 Å
• α: 89.047 ± 0.015°
• β: 79.211 ± 0.012°
• γ: 87.446 ± 0.014°
• Cell volume: 350.54 ± 0.06 ų
• Cell temperature: 293 ± 2 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 significantly intense reflections: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No