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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-35889
- 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; K4C2O3; C-K-O
- OSTI Identifier:
- 1207091
- DOI:
- https://doi.org/10.17188/1207091
Citation Formats
The Materials Project. Materials Data on K4C2O3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1207091.
The Materials Project. Materials Data on K4C2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1207091
The Materials Project. 2017.
"Materials Data on K4C2O3 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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 = {Mon Jul 24 00:00:00 EDT 2017},
month = {Mon Jul 24 00:00:00 EDT 2017}
}