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Title: Materials Data on K4Co2O5 by Materials Project

Abstract

K4Co2O5 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.79 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted corner-sharing KO4 trigonal pyramids. All K–O bond lengths are 2.70 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.78 Å) Co–O bond length. In the second Co3+ site, Co3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.81 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent K1+ and two Co3+ atoms. In the second O2- site, O2- is bonded to four K1+ and one Co3+ atom to form a mixture of distorted edge and corner-sharing OK4Co trigonal bipyramids. In the third O2- site, O2-more » is bonded to four K1+ and one Co3+ atom to form a mixture of distorted edge and corner-sharing OK4Co trigonal bipyramids.« less

Publication Date:
Other Number(s):
mp-770883
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K4Co2O5; Co-K-O
OSTI Identifier:
1300155
DOI:
10.17188/1300155

Citation Formats

The Materials Project. Materials Data on K4Co2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300155.
The Materials Project. Materials Data on K4Co2O5 by Materials Project. United States. doi:10.17188/1300155.
The Materials Project. 2020. "Materials Data on K4Co2O5 by Materials Project". United States. doi:10.17188/1300155. https://www.osti.gov/servlets/purl/1300155. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1300155,
title = {Materials Data on K4Co2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K4Co2O5 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.79 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted corner-sharing KO4 trigonal pyramids. All K–O bond lengths are 2.70 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.78 Å) Co–O bond length. In the second Co3+ site, Co3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.81 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent K1+ and two Co3+ atoms. In the second O2- site, O2- is bonded to four K1+ and one Co3+ atom to form a mixture of distorted edge and corner-sharing OK4Co trigonal bipyramids. In the third O2- site, O2- is bonded to four K1+ and one Co3+ atom to form a mixture of distorted edge and corner-sharing OK4Co trigonal bipyramids.},
doi = {10.17188/1300155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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