Materials Data on Lu7Sb3 by Materials Project

Abstract

Lu7Sb3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are five inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to one Lu and four Sb atoms. The Lu–Lu bond length is 3.70 Å. There are a spread of Lu–Sb bond distances ranging from 2.98–3.42 Å. In the second Lu site, Lu is bonded in a square co-planar geometry to four equivalent Sb atoms. All Lu–Sb bond lengths are 3.10 Å. In the third Lu site, Lu is bonded in a 3-coordinate geometry to two equivalent Lu and three Sb atoms. Both Lu–Lu bond lengths are 3.42 Å. There are two shorter (3.12 Å) and one longer (3.30 Å) Lu–Sb bond lengths. In the fourth Lu site, Lu is bonded to five Sb atoms to form a mixture of distorted corner and edge-sharing LuSb5 trigonal bipyramids. There are a spread of Lu–Sb bond distances ranging from 2.99–3.21 Å. In the fifth Lu site, Lu is bonded to twelve Lu atoms to form distorted face-sharing LuLu12 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Lu atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Lu atoms.