Materials Data on Ce3(SiNi3)2 by Materials Project

Abstract

Ce3Ni6Si2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.80 Å) and four longer (3.03 Å) Ce–Ni bond lengths. All Ce–Si bond lengths are 3.13 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Ce, six equivalent Ni, and two equivalent Si atoms. There are four shorter (2.55 Å) and two longer (2.85 Å) Ni–Ni bond lengths. Both Ni–Si bond lengths are 2.46 Å. Si is bonded to six equivalent Ce and six equivalent Ni atoms to form a mixture of corner and face-sharing SiCe6Ni6 cuboctahedra.