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DOE OSTI · 1704689

Materials Data on NaGaTe2 by Materials Project

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Abstract

NaGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Na1+ is bonded to four equivalent Te2- atoms to form distorted NaTe4 tetrahedra that share corners with four equivalent NaTe4 tetrahedra and corners with eight equivalent GaTe4 tetrahedra. All Na–Te bond lengths are 3.12 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 NaTe4 tetrahedra. All Ga–Te bond lengths are 2.66 Å. Te2- is bonded to two equivalent Na1+ and two equivalent Ga3+ atoms to form distorted corner-sharing TeNa2Ga2 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureGa-Na-TeNaGaTe2

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2020-05-09. Materials Data on NaGaTe2 by Materials Project. https://doi.org/10.17188/1704689

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