Information card for entry 4307448

Structure parameters

• Formula: Mo1.21 Sb4 Ti0.79
• Calculated formula: Mo1.206 Sb4 Ti0.794
• Title of publication: Crystal Structure, Electronic Structure, and Physical Properties of Ti1-δMo1+δAs4 and Ti1-δMo1+δSb4
• Authors of publication: Shahab Derakhshan; Abdeljalil Assoud; Katja M. Kleinke; Holger Kleinke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1459 - 1463
• a: 10.1222 ± 0.0009 Å
• b: 3.608 ± 0.0003 Å
• c: 8.1884 ± 0.0008 Å
• α: 90°
• β: 120.23 ± 0.002°
• γ: 90°
• Cell volume: 258.38 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No