Information card for entry 4001568

Structure parameters

• Formula: Cs11.9 Fe14 K0 Li6.1 O80 P20
• Calculated formula: Cs11.894 Fe14 Li6.106 O80 P20
• Title of publication: Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate
• Authors of publication: Becht, Greg; Hwu, Shiou-Jyh
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4221
• a: 13.899 ± 0.003 Å
• b: 16.397 ± 0.003 Å
• c: 9.83 ± 0.002 Å
• α: 90°
• β: 110.4 ± 0.03°
• γ: 90°
• Cell volume: 2099.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No