Materials Data on Tm3Sn by Materials Project

Abstract

Tm3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to eight Tm and four equivalent Sn atoms to form distorted TmTm8Sn4 cuboctahedra that share corners with twelve equivalent TmTm8Sn4 cuboctahedra, edges with eight equivalent TmTm8Sn4 cuboctahedra, edges with eight equivalent SnTm12 cuboctahedra, faces with four equivalent SnTm12 cuboctahedra, and faces with ten equivalent TmTm8Sn4 cuboctahedra. There are four shorter (3.25 Å) and four longer (3.46 Å) Tm–Tm bond lengths. All Tm–Sn bond lengths are 3.46 Å. In the second Tm site, Tm is bonded in a square co-planar geometry to eight equivalent Tm and four equivalent Sn atoms. All Tm–Sn bond lengths are 3.25 Å. Sn is bonded to twelve Tm atoms to form SnTm12 cuboctahedra that share corners with four equivalent SnTm12 cuboctahedra, edges with eight equivalent SnTm12 cuboctahedra, edges with sixteen equivalent TmTm8Sn4 cuboctahedra, faces with four equivalent SnTm12 cuboctahedra, and faces with eight equivalent TmTm8Sn4 cuboctahedra.