Materials Data on Gd2CoNi3 by Materials Project

Abstract

Gd2CoNi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd is bonded to three equivalent Co and nine Ni atoms to form a mixture of edge and face-sharing GdCo3Ni9 cuboctahedra. All Gd–Co bond lengths are 2.99 Å. There are three shorter (2.99 Å) and six longer (3.01 Å) Gd–Ni bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Ni atoms. All Co–Ni bond lengths are 2.29 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.29 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Co atoms. In the third Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Ni atoms.