Materials Data on Lu4CdIr by Materials Project

Abstract

Lu4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Lu–Ir bond lengths are 2.78 Å. All Lu–Cd bond lengths are 3.38 Å. In the second Lu site, Lu is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Lu–Ir bond lengths are 2.76 Å. Both Lu–Cd bond lengths are 3.43 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Lu–Ir bond lengths are 3.41 Å. Both Lu–Cd bond lengths are 3.20 Å. Ir is bonded in a 6-coordinate geometry to nine Lu atoms. Cd is bonded to nine Lu and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdLu9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.09 Å.