Materials Data on LiNb3Cl8 by Materials Project

Kristin Persson
LiNb3Cl8 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to five Cl1- atoms to form distorted LiCl5 trigonal bipyramids that share corners with four NbCl5 square pyramids, edges with two NbCl5 square pyramids, and an edgeedge with one LiCl5 trigonal bipyramid. There are a spread of Li–Cl bond distances ranging from 2.35–2.82 Å. There are three inequivalent Nb+2.33+ sites. In the first Nb+2.33+ site, Nb+2.33+ is bonded to five...
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