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

Title: Materials Data on Ga4H12C15O31 by Materials Project

Abstract

(GaH3(CO2)3)8(CO2)6O2 crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of six carbon dioxide molecules, two water molecules, and one GaH3(CO2)3 framework. In the GaH3(CO2)3 framework, Ga3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ga–O bond lengths are 1.99 Å. C+2.53+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C+2.53+ atom. O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one C+2.53+ atom.

Publication Date:
Other Number(s):
mp-1200504
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; Ga4H12C15O31; C-Ga-H-O
OSTI Identifier:
1676870
DOI:
https://doi.org/10.17188/1676870

Citation Formats

The Materials Project. Materials Data on Ga4H12C15O31 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676870.
The Materials Project. Materials Data on Ga4H12C15O31 by Materials Project. United States. doi:https://doi.org/10.17188/1676870
The Materials Project. 2020. "Materials Data on Ga4H12C15O31 by Materials Project". United States. doi:https://doi.org/10.17188/1676870. https://www.osti.gov/servlets/purl/1676870. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676870,
title = {Materials Data on Ga4H12C15O31 by Materials Project},
author = {The Materials Project},
abstractNote = {(GaH3(CO2)3)8(CO2)6O2 crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of six carbon dioxide molecules, two water molecules, and one GaH3(CO2)3 framework. In the GaH3(CO2)3 framework, Ga3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ga–O bond lengths are 1.99 Å. C+2.53+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C+2.53+ atom. O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one C+2.53+ atom.},
doi = {10.17188/1676870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}