Materials Data on Tm2SnAu2 by Materials Project

Abstract

Tm2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.94 Å) and four longer (2.99 Å) Tm–Au bond lengths. All Tm–Sn bond lengths are 3.44 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.91 Å) and four longer (3.04 Å) Tm–Au bond lengths. All Tm–Sn bond lengths are 3.49 Å. Au is bonded in a 9-coordinate geometry to six Tm, one Au, and two equivalent Sn atoms. The Au–Au bond length is 2.84 Å. Both Au–Sn bond lengths are 3.09 Å. Sn is bonded to eight Tm and four equivalent Au atoms to form a mixture of face and corner-sharing SnTm8Au4 cuboctahedra.