U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeBS3 by Materials Project
Abstract
CeBS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.90–3.24 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.81–1.83 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Ce3+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one B3+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-1189296
- 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; B-Ce-S; CeBS3; crystal structure
- OSTI Identifier:
- 1740524
- DOI:
- https://doi.org/10.17188/1740524
Citation Formats
Materials Data on CeBS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740524.
Materials Data on CeBS3 by Materials Project. United States. doi:https://doi.org/10.17188/1740524
2020.
"Materials Data on CeBS3 by Materials Project". United States. doi:https://doi.org/10.17188/1740524. https://www.osti.gov/servlets/purl/1740524. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1740524,
title = {Materials Data on CeBS3 by Materials Project},
abstractNote = {CeBS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.90–3.24 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.81–1.83 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Ce3+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one B3+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one B3+ atom.},
doi = {10.17188/1740524},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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