U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2S3 by Materials Project
Abstract
Ce2S3 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 in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.82–3.16 Å. In the second Ce3+ site, Ce3+ is bonded to eight S2- atoms to form a mixture of distorted face, edge, and corner-sharing CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.84–3.02 Å. In the third Ce3+ site, Ce3+ is bonded to eight S2- atoms to form a mixture of distorted face, edge, and corner-sharing CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.86–3.08 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ce3+ atoms. In the second S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted face, edge, and corner-sharing SCe5 square pyramids. In the third S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted face, edge, and corner-sharing SCe5 square pyramids.
- Publication Date:
- Other Number(s):
- mp-32629
- 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-S; Ce2S3; crystal structure
- OSTI Identifier:
- 1206327
- DOI:
- https://doi.org/10.17188/1206327
Citation Formats
Materials Data on Ce2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206327.
Materials Data on Ce2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1206327
2020.
"Materials Data on Ce2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1206327. https://www.osti.gov/servlets/purl/1206327. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1206327,
title = {Materials Data on Ce2S3 by Materials Project},
abstractNote = {Ce2S3 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 in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.82–3.16 Å. In the second Ce3+ site, Ce3+ is bonded to eight S2- atoms to form a mixture of distorted face, edge, and corner-sharing CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.84–3.02 Å. In the third Ce3+ site, Ce3+ is bonded to eight S2- atoms to form a mixture of distorted face, edge, and corner-sharing CeS8 hexagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.86–3.08 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ce3+ atoms. In the second S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted face, edge, and corner-sharing SCe5 square pyramids. In the third S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted face, edge, and corner-sharing SCe5 square pyramids.},
doi = {10.17188/1206327},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}