Information card for entry 4342638

Structure parameters

• Formula: Ba Hg S2
• Calculated formula: Ba Hg S2
• Title of publication: Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7.
• Authors of publication: Wu, Kui; Su, Xin; Pan, Shilie; Yang, Zhihua
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2772 - 2779
• a: 4.217 ± 0.005 Å
• b: 14.409 ± 0.016 Å
• c: 7.335 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 445.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No