Materials Data on HfSb by Materials Project

Abstract

HfSb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded to five Sb atoms to form distorted corner-sharing HfSb5 trigonal bipyramids. There are a spread of Hf–Sb bond distances ranging from 2.84–3.01 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to seven Sb atoms. There are a spread of Hf–Sb bond distances ranging from 2.95–3.11 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 7-coordinate geometry to seven Hf atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to six Hf atoms.