Information card for entry 4125846

Structure parameters

• Formula: C8 Cs9 F5 Mg6 O24
• Calculated formula: C8 Cs9 F5 Mg6 O24
• Title of publication: Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.
• Authors of publication: Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 3
• Pages of publication: 1285 - 1295
• a: 13.2888 ± 0.0017 Å
• b: 6.8258 ± 0.0009 Å
• c: 18.824 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1707.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No