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DOE OSTI · 1201686

Materials Data on LiTe3 by Materials Project

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Abstract

LiTe3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional and consists of two LiTe3 frameworks. there are two inequivalent Li sites. In the first Li site, Li is bonded to six Te atoms to form corner-sharing LiTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are three shorter (3.09 Å) and three longer (3.13 Å) Li–Te bond lengths. In the second Li site, Li is bonded to six equivalent Te atoms to form corner-sharing LiTe6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Li–Te bond lengths are 3.10 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a distorted linear geometry to two equivalent Li atoms. In the second Te site, Te is bonded in a distorted linear geometry to two Li atoms.

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36 MATERIALS SCIENCEcrystal structureLi-TeLiTe3

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2015-02-26. Materials Data on LiTe3 by Materials Project. https://doi.org/10.17188/1201686

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