Information card for entry 2011767

Structure parameters

• Formula: Al Br0.478 Ca2 Cl0.522 H10 O8
• Calculated formula: Al Br0.478 Ca2 Cl0.522 H10.0002 O8
• Title of publication: The double-layered hydroxide 3CaO·Al~2~O~3~·0.5CaBr~2~·0.5CaCl~2~·10H~2~O
• Authors of publication: Rapin, Jean-Philippe; François, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 137 - 138
• a: 5.7537 ± 0.0004 Å
• b: 5.7537 ± 0.0004 Å
• c: 48.108 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1379.25 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes