Information card for entry 2203124

Structure parameters

• Chemical name: Trisodium vanadium oxide trisulfide
• Formula: Na3 O S3 V
• Calculated formula: Na3 O S3 V
• SMILES: [V](=S)([S-])([S-])[O-].[Na+].[Na+].[Na+]
• Title of publication: Na~3~VOS~3~
• Authors of publication: Huang, Fu Qiang; Ibers, James A.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: i6 - i7
• a: 9.6673 ± 0.0011 Å
• b: 11.9122 ± 0.0014 Å
• c: 5.8846 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 677.66 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No