U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeSe2 by Materials Project
Abstract
CeSe2 is beta Tridymite-like structured and crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. there are three inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.71 Å) and three longer (2.73 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded to four equivalent Se2- atoms to form corner-sharing CeSe4 tetrahedra. All Ce–Se bond lengths are 2.69 Å. In the third Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.69 Å) and three longer (2.71 Å) Ce–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1100189
- 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; Ce-Se; CeSe2; crystal structure
- OSTI Identifier:
- 1723849
- DOI:
- https://doi.org/10.17188/1723849
Citation Formats
Materials Data on CeSe2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1723849.
Materials Data on CeSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1723849
2018.
"Materials Data on CeSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1723849. https://www.osti.gov/servlets/purl/1723849. Pub date:Tue Jun 05 00:00:00 EDT 2018
@article{osti_1723849,
title = {Materials Data on CeSe2 by Materials Project},
abstractNote = {CeSe2 is beta Tridymite-like structured and crystallizes in the cubic Fd-3 space group. The structure is three-dimensional. there are three inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.71 Å) and three longer (2.73 Å) Ce–Se bond lengths. In the second Ce4+ site, Ce4+ is bonded to four equivalent Se2- atoms to form corner-sharing CeSe4 tetrahedra. All Ce–Se bond lengths are 2.69 Å. In the third Ce4+ site, Ce4+ is bonded to four Se2- atoms to form corner-sharing CeSe4 tetrahedra. There are one shorter (2.69 Å) and three longer (2.71 Å) Ce–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the second Se2- site, Se2- is bonded in a linear geometry to two Ce4+ atoms. In the third Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms. In the fourth Se2- site, Se2- is bonded in a linear geometry to two equivalent Ce4+ atoms.},
doi = {10.17188/1723849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {6}
}