Materials Data on Nd2Ga2Co15 by Materials Project

Abstract

Nd2Co15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to eighteen Co and one Ga atom. There are a spread of Nd–Co bond distances ranging from 2.95–3.33 Å. The Nd–Ga bond length is 3.00 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Nd, eight Co, and two equivalent Ga atoms to form distorted CoNd2Ga2Co8 cuboctahedra that share corners with fourteen CoNd2Ga2Co8 cuboctahedra, edges with six equivalent CoNd3GaCo8 cuboctahedra, and faces with ten CoNd2Ga2Co8 cuboctahedra. There are four shorter (2.40 Å) and four longer (2.44 Å) Co–Co bond lengths. Both Co–Ga bond lengths are 2.55 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Nd, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.42–2.59 Å. Both Co–Ga bond lengths are 2.75 Å. In the third Co site, Co is bonded to three equivalent Nd, eight Co, and one Ga atom to form a mixture of edge, face, and corner-sharing CoNd3GaCo8 cuboctahedra. Both Co–Co bond lengths are 2.48 Å. The Co–Ga bond length is 2.60 Å. Ga is bonded in a 7-coordinate geometry to one Nd, twelve Co, and one Ga atom. The Ga–Ga bond length is 2.63 Å.