Information card for entry 1560400

Structure parameters

• Formula: Cu4 S4 Sn
• Calculated formula: Cu3.999 S4 Sn
• Title of publication: New insights into the structure, chemistry, and properties of Cu4SnS4
• Authors of publication: Choudhury, Amitava; Mohapatra, Sudip; Yaghoobnejad Asl, Hooman; Lee, Seng Huat; Hor, Yew San; Medvedeva, Julia E.; McClane, Devon L.; Hilmas, Gregory E.; McGuire, Michael A.; May, Andrew F.; Wang, Hsin; Dash, Shreeram; Welton, Aaron; Boolchand, Punit; Devlin, Kasey P.; Aitken, Jennifer; Herbst-Irmer, Regine; Petříček, Váčlav
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 253
• Pages of publication: 192 - 201
• a: 13.5667 ± 0.0018 Å
• b: 7.6891 ± 0.001 Å
• c: 6.4169 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 669.38 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No