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DOE OSTI · 1195326

Materials Data on LiInSe2 by Materials Project

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Abstract

LiInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Se2- atoms to form LiSe4 tetrahedra that share corners with four equivalent LiSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. All Li–Se bond lengths are 2.58 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent LiSe4 tetrahedra. All In–Se bond lengths are 2.63 Å. Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureIn-Li-SeLiInSe2

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2020-07-15. Materials Data on LiInSe2 by Materials Project. https://doi.org/10.17188/1195326

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