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Title: Materials Data on KCO3 by Materials Project

Abstract

KCO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.21 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.65–3.30 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.25–1.43 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.25–1.44 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to twomore » K and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three K and one C atom.« less

Authors:
Publication Date:
Other Number(s):
mp-31302
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; KCO3; C-K-O
OSTI Identifier:
1205573
DOI:
https://doi.org/10.17188/1205573

Citation Formats

The Materials Project. Materials Data on KCO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205573.
The Materials Project. Materials Data on KCO3 by Materials Project. United States. doi:https://doi.org/10.17188/1205573
The Materials Project. 2020. "Materials Data on KCO3 by Materials Project". United States. doi:https://doi.org/10.17188/1205573. https://www.osti.gov/servlets/purl/1205573. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205573,
title = {Materials Data on KCO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KCO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.21 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.65–3.30 Å. There are two inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.25–1.43 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.25–1.44 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to two K and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three K and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three K and one C atom.},
doi = {10.17188/1205573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}