Materials Data on YbAgSn by Materials Project

Abstract

YbAgSn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. All Yb–Ag bond lengths are 3.49 Å. All Yb–Sn bond lengths are 3.20 Å. In the second Yb site, Yb is bonded to six Ag and six Sn atoms to form a mixture of distorted edge and face-sharing YbAg6Sn6 cuboctahedra. There are three shorter (3.16 Å) and three longer (3.33 Å) Yb–Ag bond lengths. There are three shorter (3.33 Å) and three longer (3.45 Å) Yb–Sn bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Yb and four Sn atoms. There are three shorter (2.83 Å) and one longer (3.33 Å) Ag–Sn bond lengths. In the second Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Sn atoms. All Ag–Sn bond lengths are 2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six Yb, three equivalent Ag, and one Sn atom. The Sn–Sn bond length is 3.17 Å. In the second Sn site, Sn is bonded in a 11-coordinate geometry to six equivalent Yb and five Ag atoms.