U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UVSe3 by Materials Project
Abstract
UVSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 6-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.84–3.30 Å. V3+ is bonded to six Se2- atoms to form corner-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are two shorter (2.57 Å) and four longer (2.62 Å) V–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent U3+ and two equivalent V3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent U3+ and two equivalent V3+ atoms to form distorted corner-sharing SeU2V2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1188372
- 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; Se-U-V; UVSe3; crystal structure
- OSTI Identifier:
- 1705938
- DOI:
- https://doi.org/10.17188/1705938
Citation Formats
Materials Data on UVSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705938.
Materials Data on UVSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1705938
2020.
"Materials Data on UVSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1705938. https://www.osti.gov/servlets/purl/1705938. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705938,
title = {Materials Data on UVSe3 by Materials Project},
abstractNote = {UVSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 6-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.84–3.30 Å. V3+ is bonded to six Se2- atoms to form corner-sharing VSe6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are two shorter (2.57 Å) and four longer (2.62 Å) V–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent U3+ and two equivalent V3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent U3+ and two equivalent V3+ atoms to form distorted corner-sharing SeU2V2 trigonal pyramids.},
doi = {10.17188/1705938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}