Materials Data on LaNdCo10 by Materials Project

Abstract

NdLaCo10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 2.90–3.20 Å. La is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of La–Co bond distances ranging from 2.90–3.22 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, one La, and six Co atoms. All Co–Co bond lengths are 2.46 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to one Nd, two equivalent La, and six Co atoms. All Co–Co bond lengths are 2.46 Å. In the third Co site, Co is bonded to four equivalent Nd and eight Co atoms to form CoNd4Co8 cuboctahedra that share corners with sixteen CoLa2Nd2Co8 cuboctahedra, edges with ten CoLa2Nd2Co8 cuboctahedra, and faces with ten CoNd4Co8 cuboctahedra. All Co–Co bond lengths are 2.50 Å. In the fourth Co site, Co is bonded to four equivalent La and eight Co atoms to form CoLa4Co8 cuboctahedra that share corners with sixteen CoLa2Nd2Co8 cuboctahedra, edges with ten CoLa2Nd2Co8 cuboctahedra, and faces with ten CoLa4Co8 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the fifth Co site, Co is bonded to two equivalent Nd, two equivalent La, and eight Co atoms to form a mixture of corner, edge, and face-sharing CoLa2Nd2Co8 cuboctahedra. There are one shorter (2.50 Å) and one longer (2.53 Å) Co–Co bond lengths.