Materials Data on Tm3(SiNi3)2 by Materials Project

Abstract

Tm3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.79 Å) and four longer (2.91 Å) Tm–Ni bond lengths. All Tm–Si bond lengths are 3.09 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.51 Å. Both Ni–Si bond lengths are 2.39 Å. Si is bonded to six equivalent Tm and six equivalent Ni atoms to form a mixture of corner and face-sharing SiTm6Ni6 cuboctahedra.