Information card for entry 4324132

Structure parameters

• Formula: Se4 Tl4 Zr
• Calculated formula: Se4 Tl4 Zr
• 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: 9.2744 ± 0.0019 Å
• b: 9.2639 ± 0.0019 Å
• c: 16.007 ± 0.003 Å
• α: 104.146 ± 0.003°
• β: 105.326 ± 0.003°
• γ: 90.219 ± 0.003°
• Cell volume: 1282.7 ± 0.4 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: 0.1207
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.569
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No