Materials Data on HfCoAs by Materials Project

Abstract

HfCoAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to six equivalent Co and five equivalent As atoms. There are a spread of Hf–Co bond distances ranging from 2.83–3.07 Å. There are three shorter (2.72 Å) and two longer (2.75 Å) Hf–As bond lengths. Co is bonded in a 12-coordinate geometry to six equivalent Hf, two equivalent Co, and four equivalent As atoms. Both Co–Co bond lengths are 2.78 Å. There are a spread of Co–As bond distances ranging from 2.39–2.47 Å. As is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Co atoms.