U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UBCO5 by Materials Project
Abstract
UO3CBO2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four metaboric acid molecules, four methane molecules, and four UO3 clusters. In each UO3 cluster, U3+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.83 Å) and one longer (1.90 Å) U–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U3+ atom.
- Publication Date:
- Other Number(s):
- mp-1197513
- 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; B-C-O-U; UBCO5; crystal structure
- OSTI Identifier:
- 1654952
- DOI:
- https://doi.org/10.17188/1654952
Citation Formats
Materials Data on UBCO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1654952.
Materials Data on UBCO5 by Materials Project. United States. doi:https://doi.org/10.17188/1654952
2020.
"Materials Data on UBCO5 by Materials Project". United States. doi:https://doi.org/10.17188/1654952. https://www.osti.gov/servlets/purl/1654952. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1654952,
title = {Materials Data on UBCO5 by Materials Project},
abstractNote = {UO3CBO2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four metaboric acid molecules, four methane molecules, and four UO3 clusters. In each UO3 cluster, U3+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.83 Å) and one longer (1.90 Å) U–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U3+ atom.},
doi = {10.17188/1654952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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