Information card for entry 7221623

Structure parameters

• Mineral name: Ca2Al3O6F
• Formula: Al6 Ca4 F2 O12
• Calculated formula: Al6 Ca4 F2.0001 O12
• Title of publication: Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy
• Authors of publication: Zhiguo, Xia; Molokeev, Maxim; Oreshonkov, Alexander; Atuchin, Victor; Ru-Shi, Liu; Cheng, Dong
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 5952
• a: 17.323748 ± 0.00007 Å
• b: 17.323748 ± 0.00007 Å
• c: 7.000171 ± 0.000036 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1819.38 ± 0.014 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor R(I) for significantly intense reflections: 3.445
• Goodness-of-fit parameter for all reflections: 3.885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.971
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes