Information card for entry 2013377

Structure parameters

• Formula: La2 Nb3 O8 S2
• Calculated formula: La2 Nb3 O8 S2
• Title of publication: A mixed-valent niobium oxysulfide, La~2~Nb~3~S~2~O~8~
• Authors of publication: Cario, Laurent; Kabbour, Houria; Guillot-Deudon, Catherine; Meerschaut, Alain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: i55 - i56
• a: 9.8698 ± 0.0002 Å
• b: 11.7941 ± 0.0003 Å
• c: 7.6686 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 892.67 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes