Information card for entry 4322546

Structure parameters

• Formula: Ca2 Fe H4 O13 P3
• Calculated formula: Ca2 Fe H4 O13 P3
• Title of publication: Synthesis, Crystal Structure, NMR Studies, and Thermal Stability of Mixed Iron-Indium Phosphates with Quasi-One-Dimensional Frameworks
• Authors of publication: X. Tang; A. Jones; A. Lachgar; B. J. Gross; J. L. Yarger
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 6032 - 6038
• a: 7.503 ± 0.002 Å
• b: 15.477 ± 0.002 Å
• c: 9.142 ± 0.001 Å
• α: 90°
• β: 113.6 ± 0.02°
• γ: 90°
• Cell volume: 972.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No