Information card for entry 8103064

Structure parameters

• Formula: Ca5.45 F1.55 Li3.55 O12.45 Si3
• Calculated formula: Ca5.445 F1.5 Li3.555 O12.5 Si3
• Title of publication: Ca5.45Li3.55[SiO4]3O0.45F1.55 and Ca7K[SiO4]3F3: single-crystal synthesis and structures of two trigonal oxyfluorides
• Authors of publication: Krüger, Hannes
• Journal of publication: Zeitschrift für Kristallographie - Crystalline Materials
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 10
• Pages of publication: 418 - 424
• a: 7.1365 ± 0.0006 Å
• b: 7.1365 ± 0.0006 Å
• c: 41.459 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1828.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for significantly intense reflections: 3.44
• Goodness-of-fit parameter for all reflections included in the refinement: 3.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No