Materials Data on Pr2Cr2Co15 by Materials Project

Abstract

Pr2Cr2Co15 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to two equivalent Cr and seventeen Co atoms. Both Pr–Cr bond lengths are 3.29 Å. There are a spread of Pr–Co bond distances ranging from 3.01–3.26 Å. Cr is bonded in a 10-coordinate geometry to two equivalent Pr and ten Co atoms. There are a spread of Cr–Co bond distances ranging from 2.37–2.58 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Cr, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.67 Å. In the second Co site, Co is bonded in a 1-coordinate geometry to two equivalent Pr, one Cr, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.65 Å. In the third Co site, Co is bonded to three equivalent Pr, two equivalent Cr, and seven Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPr3Cr2Co7 cuboctahedra. There are two shorter (2.53 Å) and one longer (2.55 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to three equivalent Pr, one Cr, and eight Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPr3CrCo8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.56 Å. In the fifth Co site, Co is bonded in a 4-coordinate geometry to one Pr, two equivalent Cr, and eleven Co atoms. There are one shorter (2.35 Å) and one longer (2.55 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to two equivalent Pr and ten Co atoms to form a mixture of distorted edge, face, and corner-sharing CoPr2Co10 cuboctahedra.