U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy5Bi3 by Materials Project
Abstract
Dy5Bi3 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 five Bi atoms to form distorted DyBi5 trigonal bipyramids that share corners with six equivalent DyBi6 octahedra, corners with four equivalent DyBi5 square pyramids, edges with two equivalent DyBi6 octahedra, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, and a faceface with one DyBi5 square pyramid. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Dy–Bi bond distances ranging from 3.14–3.38 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.11–3.51 Å. In the third Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 square pyramids that share corners with five equivalent DyBi6 octahedra, corners with four equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi6 octahedra, edges with two equivalent DyBi5 square pyramids, an edgeedge with one DyBi5 trigonal bipyramid, a faceface with one DyBi6 octahedra, and a faceface with one DyBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles rangemore »
- Publication Date:
- Other Number(s):
- mp-31464
- 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-Dy; Dy5Bi3; crystal structure
- OSTI Identifier:
- 1205678
- DOI:
- https://doi.org/10.17188/1205678
Citation Formats
Materials Data on Dy5Bi3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205678.
Materials Data on Dy5Bi3 by Materials Project. United States. doi:https://doi.org/10.17188/1205678
2020.
"Materials Data on Dy5Bi3 by Materials Project". United States. doi:https://doi.org/10.17188/1205678. https://www.osti.gov/servlets/purl/1205678. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1205678,
title = {Materials Data on Dy5Bi3 by Materials Project},
abstractNote = {Dy5Bi3 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 five Bi atoms to form distorted DyBi5 trigonal bipyramids that share corners with six equivalent DyBi6 octahedra, corners with four equivalent DyBi5 square pyramids, edges with two equivalent DyBi6 octahedra, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, and a faceface with one DyBi5 square pyramid. The corner-sharing octahedra tilt angles range from 30–41°. There are a spread of Dy–Bi bond distances ranging from 3.14–3.38 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.11–3.51 Å. In the third Dy site, Dy is bonded to five Bi atoms to form distorted DyBi5 square pyramids that share corners with five equivalent DyBi6 octahedra, corners with four equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi6 octahedra, edges with two equivalent DyBi5 square pyramids, an edgeedge with one DyBi5 trigonal bipyramid, a faceface with one DyBi6 octahedra, and a faceface with one DyBi5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 36–45°. There are a spread of Dy–Bi bond distances ranging from 3.19–3.26 Å. In the fourth Dy site, Dy is bonded to six Bi atoms to form distorted DyBi6 octahedra that share corners with five equivalent DyBi5 square pyramids, corners with six equivalent DyBi5 trigonal bipyramids, an edgeedge with one DyBi5 square pyramid, edges with two equivalent DyBi5 trigonal bipyramids, faces with two equivalent DyBi6 octahedra, and a faceface with one DyBi5 square pyramid. There are a spread of Dy–Bi bond distances ranging from 3.13–3.45 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Dy atoms.},
doi = {10.17188/1205678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}