Information card for entry 2107490

Structure parameters

• Formula: F K2 O6 Sc Si2
• Calculated formula: F K2 O6 Sc Si2
• Title of publication: Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F
• Authors of publication: Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 209 - 222
• a: 8.9705 ± 0.0004 Å
• b: 8.9705 ± 0.0004 Å
• c: 8.2615 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 664.8 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for significantly intense reflections: 1.83
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No