Materials Data on Pr2Al3Co14 by Materials Project

Abstract

Pr2Co14Al3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to sixteen Co and three equivalent Al atoms. There are a spread of Pr–Co bond distances ranging from 3.02–3.22 Å. All Pr–Al bond lengths are 3.28 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, eight Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.42–2.67 Å. Both Co–Al bond lengths are 2.42 Å. In the second Co site, Co is bonded to three equivalent Pr, seven Co, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing CoPr3Al2Co7 cuboctahedra. There are two shorter (2.43 Å) and one longer (2.67 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.45 Å. In the third Co site, Co is bonded in a 5-coordinate geometry to one Pr, ten Co, and three equivalent Al atoms. The Co–Co bond length is 2.29 Å. All Co–Al bond lengths are 2.60 Å. Al is bonded in a 10-coordinate geometry to two equivalent Pr and ten Co atoms.