Materials Data on BaLi4 by Materials Project

Kristin Persson
BaLi4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are six inequivalent Li sites. In the first Li site, Li is bonded to twelve Li atoms to form face-sharing LiLi12 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.87–3.13 Å. In the second Li site, Li is bonded in a 10-coordinate geometry to four Li and six Ba atoms. There are a spread of Li–Li bond distances ranging...
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