U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLiZnO2 by Materials Project
Abstract
KLiZnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.04 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, edges with two equivalent LiO4 tetrahedra, and edges with two equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.13 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, an edgeedge with one ZnO4 tetrahedra, and edges with two equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to five equivalent K1+, one Li1+, and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to two equivalent K1+, three equivalent Li1+, and two equivalent Zn2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-551092
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KLiZnO2; K-Li-O-Zn
- OSTI Identifier:
- 1267450
- DOI:
- https://doi.org/10.17188/1267450
Citation Formats
The Materials Project. Materials Data on KLiZnO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267450.
The Materials Project. Materials Data on KLiZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1267450
The Materials Project. 2020.
"Materials Data on KLiZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1267450. https://www.osti.gov/servlets/purl/1267450. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267450,
title = {Materials Data on KLiZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KLiZnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.04 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, edges with two equivalent LiO4 tetrahedra, and edges with two equivalent ZnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.13 Å. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with four equivalent LiO4 tetrahedra, an edgeedge with one ZnO4 tetrahedra, and edges with two equivalent LiO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to five equivalent K1+, one Li1+, and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to two equivalent K1+, three equivalent Li1+, and two equivalent Zn2+ atoms.},
doi = {10.17188/1267450},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}