Information card for entry 2013105

Structure parameters

• Chemical name: lithium niobium disulfide
• Formula: Li0.63 Nb S2
• Calculated formula: Li0.63 Nb S2
• Title of publication: Lithium niobium disulfide, Li~0.63~NbS~2~
• Authors of publication: Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Wilson, Claire
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: i4 - i6
• a: 3.3477 ± 0.0008 Å
• b: 3.3477 ± 0.0008 Å
• c: 12.875 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 124.96 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes