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DOE OSTI · 1743453

Materials Data on LiNbAs2 by Materials Project

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Abstract

LiNbAs2 is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form LiAs4 tetrahedra that share corners with four equivalent LiAs4 tetrahedra and corners with eight equivalent NbAs4 tetrahedra. All Li–As bond lengths are 2.64 Å. Nb5+ is bonded to four equivalent As3- atoms to form NbAs4 tetrahedra that share corners with four equivalent NbAs4 tetrahedra and corners with eight equivalent LiAs4 tetrahedra. All Nb–As bond lengths are 2.49 Å. As3- is bonded to two equivalent Li1+ and two equivalent Nb5+ atoms to form corner-sharing AsLi2Nb2 tetrahedra.

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36 MATERIALS SCIENCEAs-Li-Nbcrystal structureLiNbAs2

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2020-05-02. Materials Data on LiNbAs2 by Materials Project. https://doi.org/10.17188/1743453

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