U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U(BiO3)2 by Materials Project
Abstract
Bi2UO6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U6+ is bonded to eight O2- atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are two shorter (2.05 Å) and six longer (2.29 Å) U–O bond lengths. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.60 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and three equivalent Bi3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-548598
- 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; U(BiO3)2; Bi-O-U
- OSTI Identifier:
- 1267330
- DOI:
- https://doi.org/10.17188/1267330
Citation Formats
The Materials Project. Materials Data on U(BiO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267330.
The Materials Project. Materials Data on U(BiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1267330
The Materials Project. 2020.
"Materials Data on U(BiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1267330. https://www.osti.gov/servlets/purl/1267330. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267330,
title = {Materials Data on U(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2UO6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U6+ is bonded to eight O2- atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are two shorter (2.05 Å) and six longer (2.29 Å) U–O bond lengths. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.32–2.60 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and three equivalent Bi3+ atoms.},
doi = {10.17188/1267330},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}