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DOE OSTI · 1202946

Materials Data on Te2OsCl12 by Materials Project

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Abstract

OsTe2Cl12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one OsTe2Cl12 sheet oriented in the (0, 0, 1) direction. Os4+ is bonded to six Cl1- atoms to form OsCl6 octahedra that share corners with six equivalent TeCl6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are two shorter (2.34 Å) and four longer (2.35 Å) Os–Cl bond lengths. Te4+ is bonded to six Cl1- atoms to form TeCl6 octahedra that share corners with three equivalent OsCl6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Te–Cl bond distances ranging from 2.35–3.01 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Os4+ and one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Os4+ and one Te4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Os4+ and one Te4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.

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36 MATERIALS SCIENCECl-Os-Tecrystal structureTe2OsCl12

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2020-07-14. Materials Data on Te2OsCl12 by Materials Project. https://doi.org/10.17188/1202946

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36 MATERIALS SCIENCE↗