Information card for entry 2241550

Structure parameters

• Common name: mercury chalcohalide
• Chemical name: Mercury antimony sulfide selenide iodide
• Formula: Hg2.899 I1.908 S0.054 Sb0.101 Se2.038
• Calculated formula: Hg2.899 I1.908 S0.057 Sb0.101 Se2.035
• Title of publication: Structure cristalline du composé Hg~3-<i>x~</i>Sb~<i>x~</i>(S+Se)~2+<i>x~</i>I~2-<i>x~</i> (<i>x</i> ≃0.1)
• Authors of publication: Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 304 - 306
• a: 9.7258 ± 0.0009 Å
• b: 19.3588 ± 0.0009 Å
• c: 9.6125 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1809.84 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes