U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pa3Tc by Materials Project
Abstract
Pa3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pa and four equivalent Tc atoms to form a mixture of distorted face, edge, and corner-sharing PaPa4Tc4 tetrahedra. All Pa–Pa bond lengths are 3.06 Å. All Pa–Tc bond lengths are 3.06 Å. In the second Pa site, Pa is bonded in a 8-coordinate geometry to eight equivalent Pa and six equivalent Tc atoms. All Pa–Tc bond lengths are 3.53 Å. Tc is bonded in a distorted body-centered cubic geometry to fourteen Pa atoms.
- Publication Date:
- Other Number(s):
- mp-973853
- 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; Pa-Tc; Pa3Tc; crystal structure
- OSTI Identifier:
- 1314295
- DOI:
- https://doi.org/10.17188/1314295
Citation Formats
Materials Data on Pa3Tc by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314295.
Materials Data on Pa3Tc by Materials Project. United States. doi:https://doi.org/10.17188/1314295
2020.
"Materials Data on Pa3Tc by Materials Project". United States. doi:https://doi.org/10.17188/1314295. https://www.osti.gov/servlets/purl/1314295. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314295,
title = {Materials Data on Pa3Tc by Materials Project},
abstractNote = {Pa3Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Pa and four equivalent Tc atoms to form a mixture of distorted face, edge, and corner-sharing PaPa4Tc4 tetrahedra. All Pa–Pa bond lengths are 3.06 Å. All Pa–Tc bond lengths are 3.06 Å. In the second Pa site, Pa is bonded in a 8-coordinate geometry to eight equivalent Pa and six equivalent Tc atoms. All Pa–Tc bond lengths are 3.53 Å. Tc is bonded in a distorted body-centered cubic geometry to fourteen Pa atoms.},
doi = {10.17188/1314295},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.