Materials Data on PrNdCo10 by Materials Project

Abstract

NdPrCo10 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 2.90–3.21 Å. Pr is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Pr–Co bond distances ranging from 2.90–3.21 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Nd, two equivalent Pr, and six Co atoms. There are four shorter (2.46 Å) and two longer (2.47 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd, one Pr, and six Co atoms. All Co–Co bond lengths are 2.46 Å. In the third Co site, Co is bonded to four equivalent Pr and eight Co atoms to form CoPr4Co8 cuboctahedra that share corners with sixteen CoPr2Nd2Co8 cuboctahedra, edges with ten CoPr2Nd2Co8 cuboctahedra, and faces with ten CoPr4Co8 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the fourth Co site, Co is bonded to four equivalent Nd and eight Co atoms to form CoNd4Co8 cuboctahedra that share corners with sixteen CoPr2Nd2Co8 cuboctahedra, edges with ten CoPr2Nd2Co8 cuboctahedra, and faces with ten CoNd4Co8 cuboctahedra. All Co–Co bond lengths are 2.51 Å. In the fifth Co site, Co is bonded to two equivalent Nd, two equivalent Pr, and eight Co atoms to form a mixture of edge, corner, and face-sharing CoPr2Nd2Co8 cuboctahedra. There are one shorter (2.51 Å) and one longer (2.52 Å) Co–Co bond lengths.