U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3SbSe4 by Materials Project
Abstract
K3SbSe4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of K–Se bond distances ranging from 3.33–3.74 Å. Sb5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.51 Å) and three longer (2.53 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five equivalent K1+ and one Sb5+ atom. In the second Se2- site, Se2- is bonded in a trigonal pyramidal geometry to three equivalent K1+ and one Sb5+ atom.
- Publication Date:
- Other Number(s):
- mp-8704
- 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-Sb-Se; K3SbSe4; crystal structure
- OSTI Identifier:
- 1312596
- DOI:
- https://doi.org/10.17188/1312596
Citation Formats
Materials Data on K3SbSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312596.
Materials Data on K3SbSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1312596
2020.
"Materials Data on K3SbSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1312596. https://www.osti.gov/servlets/purl/1312596. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1312596,
title = {Materials Data on K3SbSe4 by Materials Project},
abstractNote = {K3SbSe4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of K–Se bond distances ranging from 3.33–3.74 Å. Sb5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.51 Å) and three longer (2.53 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five equivalent K1+ and one Sb5+ atom. In the second Se2- site, Se2- is bonded in a trigonal pyramidal geometry to three equivalent K1+ and one Sb5+ atom.},
doi = {10.17188/1312596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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