Materials Data on Yb3(SiNi3)2 by Materials Project

Abstract

Yb3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.76 Å) and four longer (2.85 Å) Yb–Ni bond lengths. All Yb–Si bond lengths are 3.10 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Yb, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.52 Å. Both Ni–Si bond lengths are 2.37 Å. Si is bonded to six equivalent Yb and six equivalent Ni atoms to form a mixture of face and corner-sharing SiYb6Ni6 cuboctahedra.