Information card for entry 8103031

Structure parameters

• Chemical name: Ammonium Tetrairon Tris(phosphate(V))
• Formula: Fe4 H4 N O12 P3
• Calculated formula: Fe4 H4 N O12 P3
• Title of publication: Crystal structure of ammonium tetrairon trisphosphate(V), [NH4][Fe4(PO4)3]
• Authors of publication: Kazumasa Sugiyama; Makoto Kimiyama
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 369
• a: 9.8002 ± 0.0006 Å
• b: 16.6223 ± 0.0009 Å
• c: 6.3008 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1026.41 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No