Information card for entry 7019864

Structure parameters

• Formula: Hf Se3 Tl2
• Calculated formula: Hf Se3 Tl2
• Title of publication: Structures and properties of the ternary thallium chalcogenides Tl(2)MQ(3) (M = Zr, Hf; Q = S, Se).
• Authors of publication: Sankar, Cheriyedath Raj; Kuropatwa, Bryan A.; Assoud, Abdeljalil; Kleinke, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9646 - 9650
• a: 8.1544 ± 0.0011 Å
• b: 3.8812 ± 0.0005 Å
• c: 10.6224 ± 0.0014 Å
• α: 90°
• β: 97.435 ± 0.002°
• γ: 90°
• Cell volume: 333.36 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No