Materials Data on YbPrCo17 by Materials Project

Dataset · Thu Jun 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1651490· OSTI ID:1651490

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1651490
• Report Number(s): mp-1215870
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Pr-Yb
YbPrCo17
crystal structure