Information card for entry 2016079

Structure parameters

• Common name: tyrrellite
• Chemical name: copper cobalt nickel tetraselenide
• Formula: Co1.36 Cu Ni0.64 Se4
• Calculated formula: Co1.36 Cu Ni0.64 Se4
• Title of publication: Tyrrellite, Cu(Co~0.68~Ni~0.32~2)~2~Se~4~, isostructural with spinel
• Authors of publication: Yang, Hexiong; Hubler, David K.; Lavina, Barbara; Downs, Robert T.; Costin, Gelu
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: i73 - i74
• a: 9.9885 ± 0.0001 Å
• b: 9.9885 ± 0.0001 Å
• c: 9.9885 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 996.55 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.0275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No