Materials Data on LiTb5Sn3 by Materials Project
LiTb5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Li is bonded to six equivalent Tb atoms to form face-sharing LiTb6 octahedra. All Li–Tb bond lengths are 3.05 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Tb–Sn bond lengths are 3.34 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to two equivalent Li and five equivalent Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.13–3.45 Å. Sn is bonded in a 9-coordinate geometry to nine Tb atoms.
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