Materials Data on AlH36C12S6(IO2)3 by Materials Project

doi:10.17188/1200007

Title: Materials Data on AlH36C12S6(IO2)3 by Materials Project

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Abstract

(CH3)12Al(SO)6(I)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydriodic acid molecules, thirty-six methane molecules, and three Al(SO)6 clusters. In each Al(SO)6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a bent 120 degrees geometry to one Al3+ and one S2- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-24279

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; AlH36C12S6(IO2)3; Al-C-H-I-O-S

OSTI Identifier:: 1200007

DOI:: https://doi.org/10.17188/1200007

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                    The Materials Project. Materials Data on AlH36C12S6(IO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200007.

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                    The Materials Project. Materials Data on AlH36C12S6(IO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200007

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                    The Materials Project. 2020.  
"Materials Data on AlH36C12S6(IO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200007.  https://www.osti.gov/servlets/purl/1200007. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1200007,

  title        = {Materials Data on AlH36C12S6(IO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(CH3)12Al(SO)6(I)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydriodic acid molecules, thirty-six methane molecules, and three Al(SO)6 clusters. In each Al(SO)6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.55 Å. O2- is bonded in a bent 120 degrees geometry to one Al3+ and one S2- atom.},

  doi          = {10.17188/1200007},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1200007

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