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DOE OSTI · 1281834

Materials Data on Ga2Se3 by Materials Project

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Abstract

Ga2Se3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.64–3.25 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.27–2.47 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three Ga3+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to two Ga3+ and one Se2- atom.

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36 MATERIALS SCIENCEcrystal structureGa-SeGa2Se3

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2020-07-22. Materials Data on Ga2Se3 by Materials Project. https://doi.org/10.17188/1281834

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