U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3Si2S8Cl by Materials Project
Abstract
Ce3Si2S8Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of Ce–S bond distances ranging from 2.91–3.11 Å. The Ce–Cl bond length is 3.38 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of Ce–S bond distances ranging from 2.90–3.37 Å. The Ce–Cl bond length is 2.88 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom.more »
- Publication Date:
- Other Number(s):
- mp-542133
- 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-Cl-S-Si; Ce3Si2S8Cl; crystal structure
- OSTI Identifier:
- 1266424
- DOI:
- https://doi.org/10.17188/1266424
Citation Formats
Materials Data on Ce3Si2S8Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266424.
Materials Data on Ce3Si2S8Cl by Materials Project. United States. doi:https://doi.org/10.17188/1266424
2020.
"Materials Data on Ce3Si2S8Cl by Materials Project". United States. doi:https://doi.org/10.17188/1266424. https://www.osti.gov/servlets/purl/1266424. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1266424,
title = {Materials Data on Ce3Si2S8Cl by Materials Project},
abstractNote = {Ce3Si2S8Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of Ce–S bond distances ranging from 2.91–3.11 Å. The Ce–Cl bond length is 3.38 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to eight S2- and one Cl1- atom. There are a spread of Ce–S bond distances ranging from 2.90–3.37 Å. The Ce–Cl bond length is 2.88 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.14 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ce3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Ce3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Si4+ atom. Cl1- is bonded in a 1-coordinate geometry to three Ce3+ atoms.},
doi = {10.17188/1266424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}