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DOE OSTI · 1731477

Materials Data on LiSeO3 by Materials Project

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Abstract

LiSeO3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.00 Å. Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.70 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Li and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Li and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Li and one Se atom.

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36 MATERIALS SCIENCEcrystal structureLi-O-SeLiSeO3

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2020-05-02. Materials Data on LiSeO3 by Materials Project. https://doi.org/10.17188/1731477

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