U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KPt2S3 by Materials Project
Abstract
KPt2S3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2S3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent S+1.67- atoms. All K–S bond lengths are 3.37 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent S+1.67- atoms. All Pt–S bond lengths are 2.42 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent S+1.67- atoms. All Pt–S bond lengths are 2.35 Å. S+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SKPt3 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-30533
- 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; K-Pt-S; KPt2S3; crystal structure
- OSTI Identifier:
- 1204932
- DOI:
- https://doi.org/10.17188/1204932
Citation Formats
Materials Data on KPt2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204932.
Materials Data on KPt2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1204932
2020.
"Materials Data on KPt2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1204932. https://www.osti.gov/servlets/purl/1204932. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1204932,
title = {Materials Data on KPt2S3 by Materials Project},
abstractNote = {KPt2S3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2S3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent S+1.67- atoms. All K–S bond lengths are 3.37 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent S+1.67- atoms. All Pt–S bond lengths are 2.42 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent S+1.67- atoms. All Pt–S bond lengths are 2.35 Å. S+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SKPt3 trigonal pyramids.},
doi = {10.17188/1204932},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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