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DOE OSTI · 1262060

Materials Data on LiGaTe2 by Materials Project

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Abstract

LiGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Te2- atoms to form LiTe4 tetrahedra that share corners with four equivalent LiTe4 tetrahedra and corners with eight equivalent GaTe4 tetrahedra. All Li–Te bond lengths are 2.77 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent LiTe4 tetrahedra. All Ga–Te bond lengths are 2.66 Å. Te2- is bonded to two equivalent Li1+ and two equivalent Ga3+ atoms to form corner-sharing TeLi2Ga2 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureGa-Li-TeLiGaTe2

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2020-07-16. Materials Data on LiGaTe2 by Materials Project. https://doi.org/10.17188/1262060

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