Materials Data on Dy3(SiNi3)2 by Materials Project

Abstract

Dy3Ni6Si2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.82 Å) and four longer (2.93 Å) Dy–Ni bond lengths. All Dy–Si bond lengths are 3.11 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Dy, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.53 Å. Both Ni–Si bond lengths are 2.41 Å. Si is bonded to six equivalent Dy and six equivalent Ni atoms to form a mixture of face and corner-sharing SiDy6Ni6 cuboctahedra.