Information card for entry 4316500

Structure parameters

• Formula: Se6 Tl U2
• Calculated formula: Se6 Tl U2
• Title of publication: Dichalcogenide Bonding in Seven Alkali-Metal Actinide Chalcogenides of the KTh2Se6 Structure Type
• Authors of publication: Daniel E. Bugaris; Daniel M. Wells; Jiyong Yao; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8381 - 8388
• a: 4.0387 ± 0.0005 Å
• b: 5.5524 ± 0.0007 Å
• c: 21.646 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 485.4 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No