Information card for entry 2312276

Structure parameters

• Common name: Copper mercury tin sulfide
• Chemical name: Copper mercury tin sulfide
• Formula: Cu2 Hg S4 Sn
• Calculated formula: Cu2 Hg S4 Sn
• Title of publication: Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu₂CdSiS₄ and Cu₂HgSnS₄ as a case study.
• Authors of publication: Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 9
• a: 5.5798 ± 0.0012 Å
• b: 5.5798 ± 0.0012 Å
• c: 10.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 338.12 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes