Information card for entry 7044585

Structure parameters

• Formula: Ba2 F2 S2
• Calculated formula: Ba2 F2 S2
• SMILES: [F-].[Ba+2].[S-][S-].[Ba+2].[F-]
• Title of publication: Crystal structure and chemical bonding in the mixed anion compound BaSF
• Authors of publication: Driss, Dalel; Cadars, Sylvian; Deniard, Philippe; Mévellec, Jean-Yves; Corraze, Benoit; Janod, Etienne; Cario, Laurent
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.1014 ± 0.0004 Å
• b: 6.2138 ± 0.0008 Å
• c: 7.3925 ± 0.0009 Å
• α: 90°
• β: 103.813 ± 0.008°
• γ: 90°
• Cell volume: 272.17 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0164
• Weighted residual factors for all reflections included in the refinement: 0.0172
• Goodness-of-fit parameter for significantly intense reflections: 1.29
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No