DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba(CO)4 by Materials Project

Abstract

Ba(CO)4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of two Ba(CO)4 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.81 Å. C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one C+1.50+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30237
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; Ba(CO)4; Ba-C-O
OSTI Identifier:
1204649
DOI:
https://doi.org/10.17188/1204649

Citation Formats

The Materials Project. Materials Data on Ba(CO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204649.
The Materials Project. Materials Data on Ba(CO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1204649
The Materials Project. 2020. "Materials Data on Ba(CO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1204649. https://www.osti.gov/servlets/purl/1204649. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204649,
title = {Materials Data on Ba(CO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(CO)4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of two Ba(CO)4 sheets oriented in the (0, 0, 1) direction. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.81 Å. C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one C+1.50+ atom.},
doi = {10.17188/1204649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}