Title: Materials Data on K2CO3 by Materials Project

Abstract

K2CO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.92 Å. In the second K1+ site, K1+ is bonded to six equivalent O2- atoms to form face-sharing KO6 octahedra. All K–O bond lengths are 2.71 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted single-bond geometry to four K1+ and one C4+ atom.

Publication Date:
Other Number(s):
mp-10662
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; C-K-O; crystal structure; K2CO3
OSTI Identifier:
1187270
DOI:
https://doi.org/10.17188/1187270

Citation Formats

Materials Data on K2CO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187270.
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Materials Data on K2CO3 by Materials Project. United States. doi:https://doi.org/10.17188/1187270
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2020. "Materials Data on K2CO3 by Materials Project". United States. doi:https://doi.org/10.17188/1187270. https://www.osti.gov/servlets/purl/1187270. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1187270,
title = {Materials Data on K2CO3 by Materials Project},
abstractNote = {K2CO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 2.92 Å. In the second K1+ site, K1+ is bonded to six equivalent O2- atoms to form face-sharing KO6 octahedra. All K–O bond lengths are 2.71 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted single-bond geometry to four K1+ and one C4+ atom.},
doi = {10.17188/1187270},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1187270
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