Materials Data on LaSnIr by Materials Project

Abstract

LaIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are four shorter (3.11 Å) and one longer (3.12 Å) La–Ir bond lengths. There are two shorter (3.33 Å) and four longer (3.45 Å) La–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.83 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.89 Å. Sn is bonded in a 12-coordinate geometry to six equivalent La and four Ir atoms.