Information card for entry 4311684

Structure parameters

• Formula: Cu S4 Ti2
• Calculated formula: Cu S4 Ti2
• Title of publication: Crystal Structure and Physical Properties of a New CuTi2S4 Modification in Comparison to the Thiospinel
• Authors of publication: Navid Soheilnia; Katja M. Kleinke; Enkhtsetseg Dashjav; Heather L. Cuthbert; John E. Greedan; Holger Kleinke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6473 - 6478
• a: 10.0059 ± 0.0007 Å
• b: 10.0059 ± 0.0007 Å
• c: 10.0059 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1001.77 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No