U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeS2 by Materials Project
Abstract
CeS2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.85–3.18 Å. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.85–3.18 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ce4+ and one S2- atom. The S–S bond length is 2.12 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ce4+ and one S2- atom. In the third S2- site, S2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the fourth S2- site, S2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids.
- Authors:
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1195733
- Report Number(s):
- mp-20594
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; CeS2; Ce-S
Citation Formats
The Materials Project. Materials Data on CeS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195733.
The Materials Project. Materials Data on CeS2 by Materials Project. United States. https://doi.org/10.17188/1195733
The Materials Project. 2020.
"Materials Data on CeS2 by Materials Project". United States. https://doi.org/10.17188/1195733. https://www.osti.gov/servlets/purl/1195733.
@article{osti_1195733,
title = {Materials Data on CeS2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeS2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.85–3.18 Å. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ce–S bond distances ranging from 2.85–3.18 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ce4+ and one S2- atom. The S–S bond length is 2.12 Å. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Ce4+ and one S2- atom. In the third S2- site, S2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. In the fourth S2- site, S2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids.},
doi = {10.17188/1195733},
url = {https://www.osti.gov/biblio/1195733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}