Information card for entry 2005919

Structure parameters

• Chemical name: Ba~6~V~4~O~5~S~11~
• Formula: Ba6 O5 S11 V4
• Calculated formula: Ba6 O5 S11 V4
• SMILES: [Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[S-][V](=S)([S-])[O-].[S-][V]([S-])([S-])=S.[V](=S)([S-])([O-])[O-].[V](=S)([S-])([O-])[O-]
• Title of publication: Ba~6~V~4~O~5~S~11~
• Authors of publication: Litteer, J. B.; Fettinger, J. C.; Eichhorn, B. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 163 - 165
• a: 23.2581 ± 0.0013 Å
• b: 13.8504 ± 0.0006 Å
• c: 7.5293 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.0979
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No