Materials Data on Dy5CoBi2 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1743889· OSTI ID:1743889

Dy5CoBi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing DyCoBi4 trigonal bipyramids. The Dy–Co bond length is 2.71 Å. There are two shorter (3.21 Å) and two longer (3.22 Å) Dy–Bi bond lengths. In the second Dy site, Dy is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Dy–Co bond length is 2.70 Å. There are two shorter (3.26 Å) and two longer (3.28 Å) Dy–Bi bond lengths. In the third Dy site, Dy is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing DyCoBi4 trigonal bipyramids. The Dy–Co bond length is 3.05 Å. There are two shorter (3.16 Å) and two longer (3.19 Å) Dy–Bi bond lengths. In the fourth Dy site, Dy is bonded in a 2-coordinate geometry to two equivalent Co and three equivalent Bi atoms. There are one shorter (2.79 Å) and one longer (2.86 Å) Dy–Co bond lengths. There are a spread of Dy–Bi bond distances ranging from 3.37–3.60 Å. Co is bonded to seven Dy atoms to form distorted edge-sharing CoDy7 pentagonal bipyramids. Bi is bonded in a 9-coordinate geometry to nine Dy 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: 1743889
• Report Number(s): mp-1213372
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Bi-Co-Dy
Dy5CoBi2
crystal structure