U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCuSe by Materials Project
Abstract
KCuSe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, corner, and face-sharing KSe6 octahedra. The corner-sharing octahedral tilt angles are 41°. All K–Se bond lengths are 3.45 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-7435
- 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; Cu-K-Se; KCuSe; crystal structure
- OSTI Identifier:
- 1287981
- DOI:
- https://doi.org/10.17188/1287981
Citation Formats
Materials Data on KCuSe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287981.
Materials Data on KCuSe by Materials Project. United States. doi:https://doi.org/10.17188/1287981
2020.
"Materials Data on KCuSe by Materials Project". United States. doi:https://doi.org/10.17188/1287981. https://www.osti.gov/servlets/purl/1287981. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1287981,
title = {Materials Data on KCuSe by Materials Project},
abstractNote = {KCuSe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, corner, and face-sharing KSe6 octahedra. The corner-sharing octahedral tilt angles are 41°. All K–Se bond lengths are 3.45 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All Cu–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1287981},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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