Materials Data on Sm3(SiNi3)2 by Materials Project

Abstract

Sm3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.85 Å) and four longer (2.96 Å) Sm–Ni bond lengths. All Sm–Si bond lengths are 3.15 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Sm, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Si bond lengths are 2.44 Å. Si is bonded to six equivalent Sm and six equivalent Ni atoms to form a mixture of face and corner-sharing SiSm6Ni6 cuboctahedra.