U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th2Se5 by Materials Project
Abstract
Th2Se5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Se+1.60- atoms. There are a spread of Th–Se bond distances ranging from 3.03–3.24 Å. There are three inequivalent Se+1.60- sites. In the first Se+1.60- site, Se+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ and one Se+1.60- atom. The Se–Se bond length is 2.91 Å. In the second Se+1.60- site, Se+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two Se+1.60- atoms. The Se–Se bond length is 2.59 Å. In the third Se+1.60- site, Se+1.60- is bonded to four equivalent Th4+ atoms to form distorted corner-sharing SeTh4 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-2392
- 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-Th; Th2Se5; crystal structure
- OSTI Identifier:
- 1199805
- DOI:
- https://doi.org/10.17188/1199805
Citation Formats
Materials Data on Th2Se5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199805.
Materials Data on Th2Se5 by Materials Project. United States. doi:https://doi.org/10.17188/1199805
2020.
"Materials Data on Th2Se5 by Materials Project". United States. doi:https://doi.org/10.17188/1199805. https://www.osti.gov/servlets/purl/1199805. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1199805,
title = {Materials Data on Th2Se5 by Materials Project},
abstractNote = {Th2Se5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Se+1.60- atoms. There are a spread of Th–Se bond distances ranging from 3.03–3.24 Å. There are three inequivalent Se+1.60- sites. In the first Se+1.60- site, Se+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ and one Se+1.60- atom. The Se–Se bond length is 2.91 Å. In the second Se+1.60- site, Se+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and two Se+1.60- atoms. The Se–Se bond length is 2.59 Å. In the third Se+1.60- site, Se+1.60- is bonded to four equivalent Th4+ atoms to form distorted corner-sharing SeTh4 trigonal pyramids.},
doi = {10.17188/1199805},
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.