Information card for entry 2022935

Structure parameters

• Chemical name: Calcium hexafluoridosilicate dihydrate
• Formula: Ca F6 H4 O2 Si
• Calculated formula: Ca F6 H4 O2 Si
• Title of publication: Crystal structure of CaSiF6·2H2O(mP2) and reevaluation of the SiIV–F bond-valence parameter R 0
• Authors of publication: Motaln, Klemen; Lozinšek, Matic
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 1121 - 1126
• a: 5.96605 ± 0.00017 Å
• b: 5.13977 ± 0.00012 Å
• c: 9.9308 ± 0.0003 Å
• α: 90°
• β: 107.275 ± 0.003°
• γ: 90°
• Cell volume: 290.783 ± 0.015 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes