Materials Data on Pr3(SiNi3)2 by Materials Project

Abstract

Pr3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.89 Å) and four longer (2.99 Å) Pr–Ni bond lengths. All Pr–Si bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Pr, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.58 Å. Both Ni–Si bond lengths are 2.46 Å. Si is bonded to six equivalent Pr and six equivalent Ni atoms to form a mixture of corner and face-sharing SiPr6Ni6 cuboctahedra.