Information card for entry 2234445

Structure parameters

• Chemical name: pentacalcium trizirconium docosafluoride
• Formula: Ca5 F22 Zr3
• Calculated formula: Ca5 F22 Zr3
• Title of publication: Ca~5~Zr~3~F~22~
• Authors of publication: Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: i23
• a: 9.9844 ± 0.0003 Å
• b: 7.4059 ± 0.0002 Å
• c: 9.9046 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 732.38 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes