Materials Data on Ho2SnAu2 by Materials Project

Abstract

Ho2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.93 Å) and four longer (3.08 Å) Ho–Au bond lengths. All Ho–Sn bond lengths are 3.52 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Ho–Au bond lengths. All Ho–Sn bond lengths are 3.45 Å. Au is bonded in a 8-coordinate geometry to six Ho and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.13 Å. Sn is bonded to eight Ho and four equivalent Au atoms to form a mixture of distorted face and corner-sharing SnHo8Au4 cuboctahedra.