U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLiWO4 by Materials Project
Abstract
KLiWO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. K1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All K–O bond lengths are 3.50 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent WO4 tetrahedra. There is three shorter (1.90 Å) and one longer (1.94 Å) Li–O bond length. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is three shorter (1.81 Å) and one longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three equivalent K1+, one Li1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one W6+ atom.
- Publication Date:
- Other Number(s):
- mp-1211376
- 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; crystal structure; K-Li-O-W; KLiWO4
- OSTI Identifier:
- 1729340
- DOI:
- https://doi.org/10.17188/1729340
Citation Formats
Materials Data on KLiWO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729340.
Materials Data on KLiWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1729340
2020.
"Materials Data on KLiWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1729340. https://www.osti.gov/servlets/purl/1729340. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1729340,
title = {Materials Data on KLiWO4 by Materials Project},
abstractNote = {KLiWO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. K1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All K–O bond lengths are 3.50 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent WO4 tetrahedra. There is three shorter (1.90 Å) and one longer (1.94 Å) Li–O bond length. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is three shorter (1.81 Å) and one longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three equivalent K1+, one Li1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one W6+ atom.},
doi = {10.17188/1729340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}