Information card for entry 2013735

Structure parameters

• Chemical name: Tetrapotassium vanadium diphosphorus nonasulfide
• Formula: K4 P2 S9 V
• Calculated formula: K4 P2 S9 V
• SMILES: [K+].[K+].[K+].[K+].[V]12(=S)(SP(S1)(=S)[S-])SP(S2)(=S)[S-]
• Title of publication: K~4~VP~2~S~9~
• Authors of publication: Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: i11 - i13
• a: 19.3587 ± 0.0015 Å
• b: 6.7658 ± 0.0005 Å
• c: 12.7869 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1674.8 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes