Materials Data on LuSnIr by Materials Project

Abstract

LuIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are four shorter (2.98 Å) and one longer (3.03 Å) Lu–Ir bond lengths. There are two shorter (3.14 Å) and four longer (3.27 Å) Lu–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 Lu and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.75 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Lu and four Ir atoms.