Information card for entry 7218382

Structure parameters

• Formula: Ca Cs4 F12 Mg3
• Calculated formula: Ca Cs4 F12 Mg3
• Title of publication: Cs4Mg3CaF12: Structural Transition Derived from the Partial Substitution of Mg2+ with Ca2+
• Authors of publication: Pan, ShiLie; Wang, Zheng; Jing, Qun; Zhang, Min; Dong, Xiaoyu; Yang, Zhihua
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 6.2196 ± 0.0009 Å
• b: 6.2196 ± 0.0009 Å
• c: 29.812 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 998.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0123
• Residual factor for significantly intense reflections: 0.011
• Weighted residual factors for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No