Materials Data on Pr2Co17 by Materials Project

Abstract

Pr2Co17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Pr–Co bond distances ranging from 3.03–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Pr and ten Co atoms to form CoPr2Co10 cuboctahedra that share corners with fourteen CoPr2Co10 cuboctahedra, edges with six equivalent CoPr3Co9 cuboctahedra, and faces with ten CoPr2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.58 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.66 Å. In the third Co site, Co is bonded to three equivalent Pr and nine Co atoms to form a mixture of face, edge, and corner-sharing CoPr3Co9 cuboctahedra. There are two shorter (2.47 Å) and one longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. The Co–Co bond length is 2.34 Å.