U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy5Co2Bi by Materials Project
Abstract
Dy5Co2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Co and two equivalent Bi atoms to form distorted DyCo4Bi2 octahedra that share corners with six equivalent DyCo4Bi2 octahedra, corners with sixteen equivalent DyCo3Bi2 square pyramids, and faces with eight equivalent DyCo3Bi2 square pyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Co bond lengths are 2.98 Å. Both Dy–Bi bond lengths are 3.36 Å. In the second Dy site, Dy is bonded to three equivalent Co and two equivalent Bi atoms to form distorted DyCo3Bi2 square pyramids that share corners with four equivalent DyCo4Bi2 octahedra, corners with twelve equivalent DyCo3Bi2 square pyramids, edges with seven equivalent DyCo3Bi2 square pyramids, faces with two equivalent DyCo4Bi2 octahedra, and a faceface with one DyCo3Bi2 square pyramid. The corner-sharing octahedra tilt angles range from 40–60°. There are one shorter (2.83 Å) and two longer (2.84 Å) Dy–Co bond lengths. Both Dy–Bi bond lengths are 3.32 Å. Co is bonded in a 8-coordinate geometry to eight Dy atoms. Bi is bonded in a distorted q6 geometry to ten Dy atoms.
- Publication Date:
- Other Number(s):
- mp-1212904
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-Co-Dy; Dy5Co2Bi; crystal structure
- OSTI Identifier:
- 1688868
- DOI:
- https://doi.org/10.17188/1688868
Citation Formats
Materials Data on Dy5Co2Bi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688868.
Materials Data on Dy5Co2Bi by Materials Project. United States. doi:https://doi.org/10.17188/1688868
2020.
"Materials Data on Dy5Co2Bi by Materials Project". United States. doi:https://doi.org/10.17188/1688868. https://www.osti.gov/servlets/purl/1688868. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1688868,
title = {Materials Data on Dy5Co2Bi by Materials Project},
abstractNote = {Dy5Co2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Co and two equivalent Bi atoms to form distorted DyCo4Bi2 octahedra that share corners with six equivalent DyCo4Bi2 octahedra, corners with sixteen equivalent DyCo3Bi2 square pyramids, and faces with eight equivalent DyCo3Bi2 square pyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Dy–Co bond lengths are 2.98 Å. Both Dy–Bi bond lengths are 3.36 Å. In the second Dy site, Dy is bonded to three equivalent Co and two equivalent Bi atoms to form distorted DyCo3Bi2 square pyramids that share corners with four equivalent DyCo4Bi2 octahedra, corners with twelve equivalent DyCo3Bi2 square pyramids, edges with seven equivalent DyCo3Bi2 square pyramids, faces with two equivalent DyCo4Bi2 octahedra, and a faceface with one DyCo3Bi2 square pyramid. The corner-sharing octahedra tilt angles range from 40–60°. There are one shorter (2.83 Å) and two longer (2.84 Å) Dy–Co bond lengths. Both Dy–Bi bond lengths are 3.32 Å. Co is bonded in a 8-coordinate geometry to eight Dy atoms. Bi is bonded in a distorted q6 geometry to ten Dy atoms.},
doi = {10.17188/1688868},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}