Materials Data on YbPrCo17 by Materials Project

Abstract

YbPrCo17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Yb–Co bond distances ranging from 2.96–3.23 Å. Pr is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Pr–Co bond distances ranging from 2.93–3.16 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.65 Å. In the second Co site, Co is bonded to two equivalent Yb, one Pr, and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYb2PrCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.60 Å. In the third Co site, Co is bonded to two equivalent Pr and ten Co atoms to form a mixture of corner, edge, and face-sharing CoPr2Co10 cuboctahedra. All Co–Co bond lengths are 2.41 Å. In the fourth Co site, Co is bonded to one Yb, one Pr, and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYbPrCo10 cuboctahedra. There are one shorter (2.32 Å) and one longer (2.45 Å) Co–Co bond lengths.