U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeSCl by Materials Project
Abstract
CeSCl is Baddeleyite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ce3+ is bonded to four equivalent S2- and three equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing CeS4Cl3 pentagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.81–2.84 Å. There are two shorter (2.94 Å) and one longer (3.13 Å) Ce–Cl bond lengths. S2- is bonded to four equivalent Ce3+ atoms to form a mixture of distorted corner and edge-sharing SCe4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1213844
- 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; CeSCl; crystal structure
- OSTI Identifier:
- 1698982
- DOI:
- https://doi.org/10.17188/1698982
Citation Formats
Materials Data on CeSCl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698982.
Materials Data on CeSCl by Materials Project. United States. doi:https://doi.org/10.17188/1698982
2020.
"Materials Data on CeSCl by Materials Project". United States. doi:https://doi.org/10.17188/1698982. https://www.osti.gov/servlets/purl/1698982. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1698982,
title = {Materials Data on CeSCl by Materials Project},
abstractNote = {CeSCl is Baddeleyite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ce3+ is bonded to four equivalent S2- and three equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing CeS4Cl3 pentagonal bipyramids. There are a spread of Ce–S bond distances ranging from 2.81–2.84 Å. There are two shorter (2.94 Å) and one longer (3.13 Å) Ce–Cl bond lengths. S2- is bonded to four equivalent Ce3+ atoms to form a mixture of distorted corner and edge-sharing SCe4 tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Ce3+ atoms.},
doi = {10.17188/1698982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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