Information card for entry 4030720

Structure parameters

• Formula: Ca Fe3 H2 O13 P3
• Calculated formula: Ca Fe3 H2 O13 P3
• Title of publication: CaFe3(PO4)3(H2O): A mixed-valence iron phosphate containing zigzag chains of FeO6 octahedra
• Authors of publication: Kwang-Hwa Lii; Chih-Yuan Huang
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1995
• Journal volume: 32
• Pages of publication: 225 - 235
• a: 12.538 ± 0.002 Å
• b: 11.67 ± 0.002 Å
• c: 12.699 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1858.1 ± 0.5 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0292
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No