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Title: Materials Data on K2Na4Co2O5 by Materials Project

Abstract

K2Na4Co2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.23 Å. There are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.67 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.44–2.47 Å. Co2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.82 Å) and one longer (1.92 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to two equivalent K1+, four Na1+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one Co2+ atom. In the third O2- site, O2- is bonded in an octahedral geometry to two equivalent K1+, two equivalent Na1+, and two equivalent Co2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1223676
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; K2Na4Co2O5; Co-K-Na-O
OSTI Identifier:
1663086
DOI:
https://doi.org/10.17188/1663086

Citation Formats

The Materials Project. Materials Data on K2Na4Co2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663086.
The Materials Project. Materials Data on K2Na4Co2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1663086
The Materials Project. 2020. "Materials Data on K2Na4Co2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1663086. https://www.osti.gov/servlets/purl/1663086. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1663086,
title = {Materials Data on K2Na4Co2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Na4Co2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.23 Å. There are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.67 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted corner-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.44–2.47 Å. Co2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.82 Å) and one longer (1.92 Å) Co–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to two equivalent K1+, four Na1+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one Co2+ atom. In the third O2- site, O2- is bonded in an octahedral geometry to two equivalent K1+, two equivalent Na1+, and two equivalent Co2+ atoms.},
doi = {10.17188/1663086},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}