U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCoO2 by Materials Project
Abstract
KCoO2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.89 Å) and four longer (2.91 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All K–O bond lengths are 2.66 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four equivalent O2- atoms to form corner-sharing CoO4 tetrahedra. All Co–O bond lengths are 1.87 Å. In the second Co3+ site, Co3+ is bonded to four equivalent O2- atoms to form distorted corner-sharing CoO4 trigonal pyramids. All Co–O bond lengths are 1.86 Å. O2- is bonded in a 2-coordinate geometry to three K1+ and two Co3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-557137
- 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; KCoO2; Co-K-O
- OSTI Identifier:
- 1269716
- DOI:
- https://doi.org/10.17188/1269716
Citation Formats
The Materials Project. Materials Data on KCoO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269716.
The Materials Project. Materials Data on KCoO2 by Materials Project. United States. doi:https://doi.org/10.17188/1269716
The Materials Project. 2020.
"Materials Data on KCoO2 by Materials Project". United States. doi:https://doi.org/10.17188/1269716. https://www.osti.gov/servlets/purl/1269716. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1269716,
title = {Materials Data on KCoO2 by Materials Project},
author = {The Materials Project},
abstractNote = {KCoO2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.89 Å) and four longer (2.91 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All K–O bond lengths are 2.66 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to four equivalent O2- atoms to form corner-sharing CoO4 tetrahedra. All Co–O bond lengths are 1.87 Å. In the second Co3+ site, Co3+ is bonded to four equivalent O2- atoms to form distorted corner-sharing CoO4 trigonal pyramids. All Co–O bond lengths are 1.86 Å. O2- is bonded in a 2-coordinate geometry to three K1+ and two Co3+ atoms.},
doi = {10.17188/1269716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}