Information card for entry 2311360

Structure parameters

• Chemical name: Thallium penta(indium/chromium) octaselenide
• Formula: Cr0.189 In4.811 Se8 Tl
• Calculated formula: Cr0.189 In4.811 Se8 Tl1.0002
• Title of publication: Substitution of indium for chromium in TlIn_5-<i>x</i> Cr _<i>x</i> Se₈: crystal structure of TlIn_4.811(5)Cr_0.189(5)Se₈.
• Authors of publication: Lefèvre, Robin; Berthebaud, David; Gascoin, Franck
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 4
• Pages of publication: 500 - 502
• a: 19.8257 ± 0.0018 Å
• b: 3.9754 ± 0.0004 Å
• c: 9.5881 ± 0.0009 Å
• α: 90°
• β: 101.645 ± 0.005°
• γ: 90°
• Cell volume: 740.13 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections included in the refinement: 0.0308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No