Materials Data on Pr2Al2Co15 by Materials Project

Abstract

Pr2Co15Al2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to eighteen Co and one Al atom. There are a spread of Pr–Co bond distances ranging from 2.96–3.34 Å. The Pr–Al bond length is 3.06 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 four shorter (2.41 Å) and four longer (2.42 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.55 Å. In the second Co site, Co is bonded in a distorted q6 geometry to two equivalent Pr, eight Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.61 Å. Both Co–Al bond lengths are 2.71 Å. In the third Co site, Co is bonded to three equivalent Pr, eight Co, and one Al atom to form a mixture of distorted edge, corner, and face-sharing CoPr3AlCo8 cuboctahedra. Both Co–Co bond lengths are 2.49 Å. The Co–Al bond length is 2.58 Å. Al is bonded in a 6-coordinate geometry to one Pr, twelve Co, and one Al atom. The Al–Al bond length is 2.60 Å.