Information card for entry 4311685

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: 7.0242 ± 0.0004 Å
• b: 7.0242 ± 0.0004 Å
• c: 34.834 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1488.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No