Materials Data on PrErCo17 by Materials Project

Abstract

ErPrCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to nineteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.97–3.20 Å. Pr is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Pr–Co bond distances ranging from 2.99–3.27 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded to one Er, one Pr, and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPrErCo10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to one Er, two equivalent Pr, and nine Co atoms to form a mixture of edge, face, and corner-sharing CoPr2ErCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.61 Å. In the third Co site, Co is bonded to two equivalent Er, one Pr, and nine Co atoms to form a mixture of edge, face, and corner-sharing CoPrEr2Co9 cuboctahedra. There are two shorter (2.39 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Er, one Pr, and ten Co atoms to form distorted CoPrErCo10 cuboctahedra that share corners with twenty-two CoPrErCo10 cuboctahedra, edges with ten CoPr2ErCo9 cuboctahedra, and faces with eighteen CoPrErCo10 cuboctahedra. There are one shorter (2.54 Å) and one longer (2.58 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Er and thirteen Co atoms. The Co–Co bond length is 2.34 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms.