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Structure cristalline du composé Hg3-x Sb x (S+Se)2+x I2-x (x ≃ 0.1)

Abstract : Single crystals of the mercury chalcohalide Hg3-x Sb x (S+Se)2+x I2-x (x ≃ 0.1) (mercury anti-mony sulfide selenide iodide), were grown by a chemical transport reaction. The structure contains three independent A (Hg/Sb) atoms; each atom is strongly covalently bonded with two X (Se/S) atoms to form approximately linear X-A-X units. The X-A-X units link to form A 4 X 4 rings, which are combined into infinite crankshaft-type bands running along the [100] direction. Four equatorial E (I/X = Se,S) atoms at relatively long distances complete the distorted octa-hedral coordination of A (Hg/Sb). The crystal under investigation was twinned by non-merohedry with a refined twin domain fraction of 0.814 (6):0.186 (6). The structure is isotypic with Hg3Se2I2 [Beck & Hedderich (2000 ▸). J. Solid State Chem. 151, 73-76], but the current determination reveals a coupled substitution, with partial replacement of Hg(+2) by Sb(+3), balanced by the equivalent substitution of I(-1) by S(-2) and Se(-2). Bond-valence calculations are consistent with this relative substitution model
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Submitted on : Thursday, March 31, 2016 - 11:13:31 AM
Last modification on : Tuesday, January 12, 2021 - 4:47:42 PM

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Mohammed Kars, Adrian Gómez Herrero, Thierry Roisnel, Allaoua Rebbah, L. Carlos Otero-Diáz. Structure cristalline du composé Hg3-x Sb x (S+Se)2+x I2-x (x ≃ 0.1). Acta crystallographica. Section E, Crystallographic communications, International Union of Crystallography, 2016, 72 (Pt 3), pp.304--306. ⟨10.1107/S2056989016002127⟩. ⟨hal-01295508⟩



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