Materials Data on La3Ir2 by Materials Project

Abstract

La3Ir2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in an octahedral geometry to six equivalent Ir atoms. All La–Ir bond lengths are 3.10 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Ir atoms. There are three shorter (2.95 Å) and three longer (3.17 Å) La–Ir bond lengths. In the third La site, La is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.95–3.37 Å. Ir is bonded in a 8-coordinate geometry to eight La atoms.