Materials Data on Hf5Ir3 by Materials Project

Abstract

Hf5Ir3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. there are four inequivalent Hf sites. In the first Hf site, Hf is bonded in a 4-coordinate geometry to four Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.71–2.97 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.78–2.96 Å. In the third Hf site, Hf is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.71–2.97 Å. In the fourth Hf site, Hf is bonded in a 5-coordinate geometry to five Ir atoms. There are a spread of Hf–Ir bond distances ranging from 2.73–2.93 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Hf atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Hf atoms.