Materials Data on TmMn6(GaSn2)2 by Materials Project

Abstract

TmMn6Sn4Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to six equivalent Ga and two equivalent Sn atoms to form distorted edge-sharing TmGa6Sn2 hexagonal bipyramids. All Tm–Ga bond lengths are 3.09 Å. Both Tm–Sn bond lengths are 2.91 Å. Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Sn atoms. Both Mn–Ga bond lengths are 2.58 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Mn–Sn bond lengths. Ga is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Mn atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms.