Information card for entry 2103045

Structure parameters

• Common name: calcium aluminate deca hydrate
• Formula: Al2 Ca D16.84 O12.42
• Calculated formula: Al2 Ca D16.844 O12.422
• Title of publication: Structure of calcium aluminate decahydrate (CaAl~2~O~4~·10D~2~O) from neutron and X-ray powder diffraction data
• Authors of publication: Christensen, Axel Nørlund; Lebech, Bente; Sheptyakov, Denis; Hanson, Jonathan C.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: 850 - 861
• a: 16.30365 Å
• b: 16.30365 Å
• c: 8.27597 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1905.11 ų
• Cell temperature: 1.6 K
• Ambient diffraction temperature: 1.6 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Goodness-of-fit parameter for all reflections: 4.3474
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.8854 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No