Materials Data on Er2SnAu2 by Materials Project

Abstract

Er2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.95 Å) and four longer (3.00 Å) Er–Au bond lengths. All Er–Sn bond lengths are 3.44 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.92 Å) and four longer (3.07 Å) Er–Au bond lengths. All Er–Sn bond lengths are 3.51 Å. Au is bonded in a 8-coordinate geometry to six Er and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.12 Å. Sn is bonded to eight Er and four equivalent Au atoms to form a mixture of distorted face and corner-sharing SnEr8Au4 cuboctahedra.