Information card for entry 4324133

Structure parameters

• Formula: Hf S4 Tl4
• Calculated formula: Hf S4 Tl4
• Title of publication: Crystal Structures, Electronic Structures, and Physical Properties of Tl4MQ4 (M = Zr or Hf; Q = S or Se)
• Authors of publication: Cheriyedath Raj Sankar; Savitree Bangarigadu-Sanasy; Abdeljalil Assoud; Holger Kleinke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 245 - 249
• a: 9.0318 ± 0.0011 Å
• b: 9.0345 ± 0.0011 Å
• c: 15.4477 ± 0.0019 Å
• α: 103.768 ± 0.002°
• β: 104.759 ± 0.002°
• γ: 90.125 ± 0.002°
• Cell volume: 1181.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No