Materials Data on Hf7Au10 by Materials Project

Abstract

Hf7Au10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 10-coordinate geometry to ten Au atoms. There are a spread of Hf–Au bond distances ranging from 2.93–3.01 Å. In the second Hf site, Hf is bonded in a distorted body-centered cubic geometry to eight Au atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Hf–Au bond lengths. In the third Hf site, Hf is bonded in a 8-coordinate geometry to eight Au atoms. There are a spread of Hf–Au bond distances ranging from 2.84–2.89 Å. In the fourth Hf site, Hf is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Hf–Au bond distances ranging from 2.90–3.00 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to six Hf atoms. In the second Au site, Au is bonded in a 10-coordinate geometry to five Hf atoms. In the third Au site, Au is bonded in a 6-coordinate geometry to six Hf atoms.