Materials Data on Tm3Mg by Materials Project

Abstract

MgTm3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Tm atoms. All Mg–Tm bond lengths are 3.33 Å. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Mg and eight Tm atoms to form a mixture of distorted face, edge, and corner-sharing TmTm8Mg4 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.53 Å) Tm–Tm bond lengths. In the second Tm site, Tm is bonded to twelve Tm atoms to form TmTm12 cuboctahedra that share corners with four equivalent TmTm12 cuboctahedra, edges with sixteen equivalent TmTm8Mg4 cuboctahedra, and faces with sixteen TmTm8Mg4 cuboctahedra. All Tm–Tm bond lengths are 3.53 Å.