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Title: Materials Data on K4C2O3 by Materials Project

Abstract

K4C2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.76 Å. In the second K1+ site, K1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.89 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.66–2.87 Å. In the fourth K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (2.77 Å) and one longer (2.80 Å) K–O bond lengths. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.32 Å. In the second C1+ site, C1+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2-more » is bonded in a 1-coordinate geometry to four K1+ and one C1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one C1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one C1+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35889
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; K4C2O3; C-K-O
OSTI Identifier:
1207091
DOI:
10.17188/1207091

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K4C2O3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1207091.
Persson, Kristin, & Project, Materials. Materials Data on K4C2O3 by Materials Project. United States. doi:10.17188/1207091.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on K4C2O3 by Materials Project". United States. doi:10.17188/1207091. https://www.osti.gov/servlets/purl/1207091. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1207091,
title = {Materials Data on K4C2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K4C2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.76 Å. In the second K1+ site, K1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.69–2.89 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.66–2.87 Å. In the fourth K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. There are one shorter (2.77 Å) and one longer (2.80 Å) K–O bond lengths. There are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.32 Å. In the second C1+ site, C1+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one C1+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one C1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one C1+ atom.},
doi = {10.17188/1207091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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