Materials Data on Pr5CoSb2 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1750327· OSTI ID:1750327

Pr5CoSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted face, edge, and corner-sharing PrCoSb4 trigonal bipyramids. The Pr–Co bond length is 2.85 Å. There are two shorter (3.26 Å) and two longer (3.30 Å) Pr–Sb bond lengths. In the second Pr site, Pr is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted edge and corner-sharing PrCoSb4 trigonal bipyramids. The Pr–Co bond length is 2.98 Å. There are two shorter (3.31 Å) and two longer (3.37 Å) Pr–Sb bond lengths. In the third Pr site, Pr is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted face, edge, and corner-sharing PrCoSb4 square pyramids. The Pr–Co bond length is 3.22 Å. There are two shorter (3.25 Å) and two longer (3.27 Å) Pr–Sb bond lengths. In the fourth Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Sb atoms. There are one shorter (2.80 Å) and one longer (3.00 Å) Pr–Co bond lengths. There are one shorter (3.41 Å) and one longer (3.46 Å) Pr–Sb bond lengths. Co is bonded to seven Pr atoms to form distorted edge-sharing CoPr7 pentagonal bipyramids. Sb is bonded in a 8-coordinate geometry to eight Pr atoms.

• 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: 1750327
• Report Number(s): mp-1209631
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Pr-Sb
Pr5CoSb2
crystal structure