Information card for entry 2010335

Structure parameters

• Formula: C Ba3 F7 O3 Sc
• Calculated formula: C Ba3 F7 O3 Sc
• SMILES: [Ba+2].[Ba+2].[O]=C1O[Sc](F)(F)(F)(F)(F)O1.[Ba+2].[F-].[F-]
• Title of publication: A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~
• Authors of publication: N. Mercier; Marc Leblanc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Pages of publication: 1862 - 1864
• a: 11.519 ± 0.003 Å
• b: 13.456 ± 0.003 Å
• c: 5.974 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 926 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0659
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No