Materials Data on Ga4H12C15O31 by Materials Project

doi:10.17188/1676870

Title: Materials Data on Ga4H12C15O31 by Materials Project

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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:: 2020-05-02

Other Number(s):: mp-1200504

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-Ga-H-O; Ga4H12C15O31; crystal structure

OSTI Identifier:: 1676870

DOI:: https://doi.org/10.17188/1676870

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                    Materials Data on Ga4H12C15O31 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676870.

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                    Materials Data on Ga4H12C15O31 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676870

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                    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 04:00:00 UTC 2020

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@article{osti_1676870,

  title        = {Materials Data on Ga4H12C15O31 by 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}

}

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DOI: https://doi.org/10.17188/1676870

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