Materials Data on Ce4CdIr by Materials Project

Abstract

Ce4IrCd crystallizes in the cubic F-43m 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 and three equivalent Cd atoms. All Ce–Ir bond lengths are 2.89 Å. All Ce–Cd bond lengths are 3.47 Å. In the second Ce site, Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Ce–Ir bond lengths are 2.84 Å. Both Ce–Cd bond lengths are 3.49 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Ce–Ir bond lengths are 3.52 Å. Both Ce–Cd bond lengths are 3.34 Å. Ir is bonded in a 6-coordinate geometry to nine Ce atoms. Cd is bonded to nine Ce and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdCe9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.09 Å.