Materials Data on Er3(SiNi3)2 by Materials Project

Abstract

Er3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.81 Å) and four longer (2.92 Å) Er–Ni bond lengths. All Er–Si bond lengths are 3.10 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Er, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.52 Å. Both Ni–Si bond lengths are 2.40 Å. Si is bonded to six equivalent Er and six equivalent Ni atoms to form a mixture of face and corner-sharing SiEr6Ni6 cuboctahedra.