U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce4(GeS4)3 by Materials Project
Abstract
Ce4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.09 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are six shorter (2.89 Å) and three longer (3.39 Å) Ce–S bond lengths. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ce3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SCe3Ge tetrahedra. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one Ge4+ atom.
- Publication Date:
- Other Number(s):
- mp-606703
- 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-Ge-S; Ce4(GeS4)3; crystal structure
- OSTI Identifier:
- 1277522
- DOI:
- https://doi.org/10.17188/1277522
Citation Formats
Materials Data on Ce4(GeS4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277522.
Materials Data on Ce4(GeS4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1277522
2020.
"Materials Data on Ce4(GeS4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1277522. https://www.osti.gov/servlets/purl/1277522. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1277522,
title = {Materials Data on Ce4(GeS4)3 by Materials Project},
abstractNote = {Ce4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.09 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are six shorter (2.89 Å) and three longer (3.39 Å) Ce–S bond lengths. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.23–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ce3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SCe3Ge tetrahedra. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Ce3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Ce3+ and one Ge4+ atom.},
doi = {10.17188/1277522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 04:00:00 UTC 2020},
month = {Tue Jul 14 04:00:00 UTC 2020}
}