Information card for entry 2006832

Structure parameters

• Formula: I7 Nb3 S
• Calculated formula: I7 Nb3 S
• Title of publication: A New Structural Variation of Nb~3~<i>YX</i>~7~ Compounds: Monoclinic Nb~3~SI~7~
• Authors of publication: Schmidt, Peter Josef; Thiele, Gerhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1743 - 1745
• a: 15.564 ± 0.003 Å
• b: 12.441 ± 0.002 Å
• c: 7.8 ± 0.002 Å
• α: 90°
• β: 99.49 ± 0.03°
• γ: 90°
• Cell volume: 1489.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.0769
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No