Materials Data on YZnSn2 by Materials Project

Abstract

YZnSn2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded to four equivalent Zn and eight Sn atoms to form a mixture of corner, edge, and face-sharing YZn4Sn8 cuboctahedra. All Y–Zn bond lengths are 3.31 Å. There are four shorter (3.16 Å) and four longer (3.30 Å) Y–Sn bond lengths. Zn is bonded in a 12-coordinate geometry to four equivalent Y, four equivalent Zn, and four equivalent Sn atoms. All Zn–Zn bond lengths are 3.09 Å. All Zn–Sn bond lengths are 2.85 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.09 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Zn atoms.