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DOE OSTI · 1720356

Materials Data on Ga3Te3Cl by Materials Project

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Abstract

Ga3Te3Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Ga3Te3Cl ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Ga+2.33+ sites. In the first Ga+2.33+ site, Ga+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.68 Å) and two longer (2.72 Å) Ga–Te bond lengths. In the second Ga+2.33+ site, Ga+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.70 Å) and two longer (2.71 Å) Ga–Te bond lengths. In the third Ga+2.33+ site, Ga+2.33+ is bonded to three Te2- and one Cl1- atom to form distorted corner-sharing GaTe3Cl tetrahedra. There are one shorter (2.67 Å) and two longer (2.69 Å) Ga–Te bond lengths. The Ga–Cl bond length is 2.21 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three Ga+2.33+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ga+2.33+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to three Ga+2.33+ atoms. Cl1- is bonded in a single-bond geometry to one Ga+2.33+ atom.

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36 MATERIALS SCIENCECl-Ga-Tecrystal structureGa3Te3Cl

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2019-01-12. Materials Data on Ga3Te3Cl by Materials Project. https://doi.org/10.17188/1720356

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36 MATERIALS SCIENCE↗