Materials Data on HfBi by Materials Project

Abstract

HfBi 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 in a 5-coordinate geometry to five Bi atoms. There are a spread of Hf–Bi bond distances ranging from 2.91–3.08 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Hf–Bi bond distances ranging from 3.04–3.26 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven Hf atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Hf atoms.