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DOE OSTI · 1310963

Materials Data on Li2TeO3 by Materials Project

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Abstract

Li2TeO3 is Clathrate-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Li2TeO3 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.04 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Te–O bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Te4+ atom.

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36 MATERIALS SCIENCEcrystal structureLi-O-TeLi2TeO3

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2020-05-03. Materials Data on Li2TeO3 by Materials Project. https://doi.org/10.17188/1310963

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