Materials Data on HfFeSb by Materials Project

Abstract

HfFeSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to six equivalent Fe and five equivalent Sb atoms. There are a spread of Hf–Fe bond distances ranging from 2.80–3.36 Å. There are a spread of Hf–Sb bond distances ranging from 2.91–2.95 Å. Fe is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Fe, and four equivalent Sb atoms. Both Fe–Fe bond lengths are 3.03 Å. There are a spread of Fe–Sb bond distances ranging from 2.53–2.57 Å. Sb is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Fe atoms.