Materials Data on Li11Ta37N48 by Materials Project

Kristin Persson
Li11Ta37N48 is Caswellsilverite-like structured and crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are eleven inequivalent Li sites. In the first Li site, Li is bonded to six N atoms to form LiN6 octahedra that share corners with six TaN6 pentagonal pyramids, edges with six TaN6 octahedra, and edges with six TaN6 pentagonal pyramids. There are three shorter (2.10 Å) and three longer (2.13 Å) Li–N bond lengths. In the second...
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