U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2Se3 by Materials Project
Abstract
Ce2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.96–3.26 Å. In the second Ce3+ site, Ce3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.98–3.14 Å. In the third Ce3+ site, Ce3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.99–3.20 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Ce3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeCe5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Ce3+ atoms. In the third Se2- site, Se2- is bonded to five Ce3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeCe5 squaremore »
- Publication Date:
- Other Number(s):
- mp-32578
- 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; Ce2Se3; crystal structure
- OSTI Identifier:
- 1206312
- DOI:
- https://doi.org/10.17188/1206312
Citation Formats
Materials Data on Ce2Se3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206312.
Materials Data on Ce2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1206312
2020.
"Materials Data on Ce2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1206312. https://www.osti.gov/servlets/purl/1206312. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1206312,
title = {Materials Data on Ce2Se3 by Materials Project},
abstractNote = {Ce2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.96–3.26 Å. In the second Ce3+ site, Ce3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.98–3.14 Å. In the third Ce3+ site, Ce3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing CeSe8 hexagonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.99–3.20 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Ce3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeCe5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Ce3+ atoms. In the third Se2- site, Se2- is bonded to five Ce3+ atoms to form a mixture of distorted corner, edge, and face-sharing SeCe5 square pyramids.},
doi = {10.17188/1206312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}