U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3AlCdS7 by Materials Project
Abstract
Ce3CdAlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are six inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.34 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the fourth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the fifth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the sixth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1191432
- 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; Al-Cd-Ce-S; Ce3AlCdS7; crystal structure
- OSTI Identifier:
- 1740132
- DOI:
- https://doi.org/10.17188/1740132
Citation Formats
Materials Data on Ce3AlCdS7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740132.
Materials Data on Ce3AlCdS7 by Materials Project. United States. doi:https://doi.org/10.17188/1740132
2020.
"Materials Data on Ce3AlCdS7 by Materials Project". United States. doi:https://doi.org/10.17188/1740132. https://www.osti.gov/servlets/purl/1740132. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1740132,
title = {Materials Data on Ce3AlCdS7 by Materials Project},
abstractNote = {Ce3CdAlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are six inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.34 Å. In the third Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the fourth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the fifth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. In the sixth Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ce–S bond distances ranging from 2.84–3.35 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six S2- atoms to form face-sharing CdS6 octahedra. There are three shorter (2.69 Å) and three longer (2.77 Å) Cd–S bond lengths. In the second Cd2+ site, Cd2+ is bonded to six S2- atoms to form face-sharing CdS6 octahedra. There are three shorter (2.69 Å) and three longer (2.77 Å) Cd–S bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.24 Å) and three longer (2.27 Å) Al–S bond lengths. In the second Al3+ site, Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.24 Å) and three longer (2.27 Å) Al–S bond lengths. There are fourteen inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four Ce3+ and two Cd2+ atoms. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four Ce3+ and two Cd2+ atoms. In the third S2- site, S2- is bonded in a 6-coordinate geometry to four Ce3+ and two Cd2+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four Ce3+ and two Cd2+ atoms. In the fifth S2- site, S2- is bonded in a 6-coordinate geometry to four Ce3+ and two Cd2+ atoms. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to four Ce3+ and two Cd2+ atoms. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ce3+ and one Al3+ atom. In the eighth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ce3+ and one Al3+ atom. In the ninth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ce3+ and one Al3+ atom. In the tenth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ce3+ and one Al3+ atom. In the eleventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ce3+ and one Al3+ atom. In the twelfth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ce3+ and one Al3+ atom. In the thirteenth S2- site, S2- is bonded in a distorted tetrahedral geometry to three Ce3+ and one Al3+ atom. In the fourteenth S2- site, S2- is bonded in a distorted tetrahedral geometry to three Ce3+ and one Al3+ atom.},
doi = {10.17188/1740132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.