U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLiZnS2 by Materials Project
Abstract
KLiZnS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.44 Å. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and edges with four equivalent ZnS4 tetrahedra. All Li–S bond lengths are 2.41 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and edges with four equivalent LiS4 tetrahedra. All Zn–S bond lengths are 2.41 Å. S2- is bonded in a 4-coordinate geometry to four equivalent K1+, two equivalent Li1+, and two equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-774907
- 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-Li-S-Zn; KLiZnS2; crystal structure
- OSTI Identifier:
- 1302684
- DOI:
- https://doi.org/10.17188/1302684
Citation Formats
Materials Data on KLiZnS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302684.
Materials Data on KLiZnS2 by Materials Project. United States. doi:https://doi.org/10.17188/1302684
2020.
"Materials Data on KLiZnS2 by Materials Project". United States. doi:https://doi.org/10.17188/1302684. https://www.osti.gov/servlets/purl/1302684. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1302684,
title = {Materials Data on KLiZnS2 by Materials Project},
abstractNote = {KLiZnS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.44 Å. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and edges with four equivalent ZnS4 tetrahedra. All Li–S bond lengths are 2.41 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and edges with four equivalent LiS4 tetrahedra. All Zn–S bond lengths are 2.41 Å. S2- is bonded in a 4-coordinate geometry to four equivalent K1+, two equivalent Li1+, and two equivalent Zn2+ atoms.},
doi = {10.17188/1302684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}