Materials Data on La5Ir2 by Materials Project

Abstract

La5Ir2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a distorted bent 150 degrees geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.82–3.73 Å. In the second La site, La is bonded to four equivalent Ir atoms to form distorted edge-sharing LaIr4 tetrahedra. There are two shorter (3.05 Å) and two longer (3.07 Å) La–Ir bond lengths. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are a spread of La–Ir bond distances ranging from 2.92–3.33 Å. Ir is bonded in a 7-coordinate geometry to eight La atoms.