Information card for entry 2240437

Structure parameters

• Chemical name: Niobium vanadium phosphorus decasulfide
• Formula: Nb1.18 P S10 V0.82
• Calculated formula: Nb1.1745 P S10 V0.8255
• Title of publication: Crystal structure of the mixed-metal thiophosphate Nb~1.18~V~0.82~PS~10~
• Authors of publication: Sun, Joobin; Heo, Jiyun; Yun, Hoseop
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: 278 - 280
• a: 12.8472 ± 0.0004 Å
• b: 13.6212 ± 0.0004 Å
• c: 7.1972 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1259.47 ± 0.08 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes