Information card for entry 4313419

Structure parameters

• Formula: Nb1.18 S5 V0.82
• Calculated formula: Nb1.177 S5 V0.823
• Title of publication: A New Quasi-One-Dimensional Ternary Chalcogenide: Synthesis, Crystal Structure, and Electronic Structure of Nb1+xV1-xS5 (x= 0.18)
• Authors of publication: Hoseop Yun; Geanha Ryu; Stephen Lee; Roald Hoffmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2253 - 2260
• a: 9.881 ± 0.004 Å
• b: 3.329 ± 0.001 Å
• c: 8.775 ± 0.003 Å
• α: 90°
• β: 114.82 ± 0.03°
• γ: 90°
• Cell volume: 261.98 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No