U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PuB4 by Materials Project
Abstract
PuB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.72–3.03 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.62 Å) and four longer (1.76 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.71 Å) and two longer (1.82 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent Pu6+ and three B+1.50- atoms. The B–B bond length is 1.75 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20467
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; PuB4; B-Pu
- OSTI Identifier:
- 1195597
- DOI:
- https://doi.org/10.17188/1195597
Citation Formats
The Materials Project. Materials Data on PuB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195597.
The Materials Project. Materials Data on PuB4 by Materials Project. United States. doi:https://doi.org/10.17188/1195597
The Materials Project. 2020.
"Materials Data on PuB4 by Materials Project". United States. doi:https://doi.org/10.17188/1195597. https://www.osti.gov/servlets/purl/1195597. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1195597,
title = {Materials Data on PuB4 by Materials Project},
author = {The Materials Project},
abstractNote = {PuB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.72–3.03 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.62 Å) and four longer (1.76 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.71 Å) and two longer (1.82 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent Pu6+ and three B+1.50- atoms. The B–B bond length is 1.75 Å.},
doi = {10.17188/1195597},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}