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Title: 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 4-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.83 Å) and four longer (3.19 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 2.69 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 1.88 Å. In the second Co3+ site, Co3+ is bonded to four equivalent O2- atoms to form distorted corner-sharing CoO4 tetrahedra. All Co–O bond lengths are 1.88 Å. O2- is bonded in a 2-coordinate geometry to three K1+ and two Co3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1180771
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:
1717020
DOI:
https://doi.org/10.17188/1717020

Citation Formats

The Materials Project. Materials Data on KCoO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717020.
The Materials Project. Materials Data on KCoO2 by Materials Project. United States. doi:https://doi.org/10.17188/1717020
The Materials Project. 2020. "Materials Data on KCoO2 by Materials Project". United States. doi:https://doi.org/10.17188/1717020. https://www.osti.gov/servlets/purl/1717020. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1717020,
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 4-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.83 Å) and four longer (3.19 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 2.69 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 1.88 Å. In the second Co3+ site, Co3+ is bonded to four equivalent O2- atoms to form distorted corner-sharing CoO4 tetrahedra. All Co–O bond lengths are 1.88 Å. O2- is bonded in a 2-coordinate geometry to three K1+ and two Co3+ atoms.},
doi = {10.17188/1717020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}