Materials Data on ZnSn3 by Materials Project

Abstract

ZnSn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded in a square co-planar geometry to twelve Sn atoms. There are four shorter (3.13 Å) and eight longer (3.42 Å) Zn–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Zn and eight Sn atoms to form a mixture of distorted face, edge, and corner-sharing SnZn4Sn8 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.42 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a square co-planar geometry to four equivalent Zn and eight equivalent Sn atoms.