Materials Data on LuAgSn by Materials Project

Abstract

LuAgSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to six equivalent Ag and five Sn atoms. There are two shorter (3.24 Å) and four longer (3.54 Å) Lu–Ag bond lengths. There are four shorter (3.11 Å) and one longer (3.17 Å) Lu–Sn bond lengths. Ag is bonded to six equivalent Lu, two equivalent Ag, and four Sn atoms to form a mixture of distorted corner, edge, and face-sharing AgLu6Ag2Sn4 cuboctahedra. Both Ag–Ag bond lengths are 3.13 Å. There are two shorter (2.81 Å) and two longer (2.87 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Ag atoms.