Information card for entry 2235671

Structure parameters

• Chemical name: Thallium(I) copper(I) thorium(IV) triselenide
• Formula: Cu Se3 Th Tl
• Calculated formula: Cu Se3 Th Tl
• Title of publication: Thallium(I) copper(I) thorium(IV) triselenide, TlCuThSe~3~
• Authors of publication: Koscielski, Lukasz A.; Ibers, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: i52 - i53
• a: 4.1678 ± 0.0002 Å
• b: 14.2227 ± 0.0007 Å
• c: 10.8476 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 643.02 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.592
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes