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Title: Materials Data on CO2 by Materials Project

Abstract

CO2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CO2 ribbons oriented in the (0, 1, 0) direction. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.19–1.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.

Publication Date:
Other Number(s):
mp-995198
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; CO2; C-O
OSTI Identifier:
1317023
DOI:
https://doi.org/10.17188/1317023

Citation Formats

The Materials Project. Materials Data on CO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317023.
The Materials Project. Materials Data on CO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317023
The Materials Project. 2020. "Materials Data on CO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317023. https://www.osti.gov/servlets/purl/1317023. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317023,
title = {Materials Data on CO2 by Materials Project},
author = {The Materials Project},
abstractNote = {CO2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CO2 ribbons oriented in the (0, 1, 0) direction. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.19–1.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1317023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}