Information card for entry 2211231

Structure parameters

• Common name: Tetrapotassium barium bis(tetrathiovanadate(V))
• Chemical name: Tetrapotassium barium bis(tetrathiovanadate(V))
• Formula: Ba K4 S8 V2
• Calculated formula: Ba K4 S8 V2
• SMILES: [Ba+2].[K+].[K+].[K+].[K+].[V](=S)([S-])([S-])[S-].[V](=S)([S-])([S-])[S-]
• Title of publication: Tetrapotassium barium bis[tetrathiovanadate(V)], K~4~Ba[VS~4~]~2~
• Authors of publication: Huang, Fu Qiang; Yao, Jiyong; Ibers, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: i224 - i225
• a: 8.9553 ± 0.0004 Å
• b: 18.3506 ± 0.0009 Å
• c: 9.8947 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1626.05 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.659
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes