Information card for entry 4001814

Structure parameters

• Formula: Cs2 Hg S8 Sn3
• Calculated formula: Cs2 Hg S8 Sn3
• Title of publication: Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps
• Authors of publication: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3344
• a: 7.6672 ± 0.0004 Å
• b: 12.3405 ± 0.001 Å
• c: 17.9011 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1693.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No