U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrBi2 by Materials Project
Abstract
Bi2Zr crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.11–3.22 Å. In the second Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.06–3.18 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to three Zr and three Bi atoms. There are one shorter (3.13 Å) and two longer (3.24 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three Zr atoms. In the third Bi site, Bi is bonded in a 4-coordinate geometry to four Zr and two equivalent Bi atoms. In the fourth Bi site, Bi is bonded in a 6-coordinate geometry to six Zr atoms.
- Publication Date:
- Other Number(s):
- mp-29642
- 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-Zr; ZrBi2; crystal structure
- OSTI Identifier:
- 1204129
- DOI:
- https://doi.org/10.17188/1204129
Citation Formats
Materials Data on ZrBi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204129.
Materials Data on ZrBi2 by Materials Project. United States. doi:https://doi.org/10.17188/1204129
2020.
"Materials Data on ZrBi2 by Materials Project". United States. doi:https://doi.org/10.17188/1204129. https://www.osti.gov/servlets/purl/1204129. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1204129,
title = {Materials Data on ZrBi2 by Materials Project},
abstractNote = {Bi2Zr crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.11–3.22 Å. In the second Zr site, Zr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Zr–Bi bond distances ranging from 3.06–3.18 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to three Zr and three Bi atoms. There are one shorter (3.13 Å) and two longer (3.24 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three Zr atoms. In the third Bi site, Bi is bonded in a 4-coordinate geometry to four Zr and two equivalent Bi atoms. In the fourth Bi site, Bi is bonded in a 6-coordinate geometry to six Zr atoms.},
doi = {10.17188/1204129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}