Materials Data on Ce7Ir3 by Materials Project

Abstract

Ce7Ir3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ir atoms. All Ce–Ir bond lengths are 2.92 Å. In the second Ce site, Ce is bonded in a distorted water-like geometry to four equivalent Ir atoms. There are two shorter (2.85 Å) and two longer (3.46 Å) Ce–Ir bond lengths. In the third Ce site, Ce is bonded in a 3-coordinate geometry to four equivalent Ir atoms. There are a spread of Ce–Ir bond distances ranging from 2.85–3.52 Å. Ir is bonded in a 6-coordinate geometry to nine Ce atoms.