Materials Data on AlH12(ClO2)3 by Materials Project

doi:10.17188/1199702

Title: Materials Data on AlH12(ClO2)3 by Materials Project

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Abstract

AlH12(O2Cl)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.90 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms. Cl1- is bonded in a 4-coordinate geometry to four H1+ atoms.

Publication Date:: 2020-04-30

Other Number(s):: mp-23743

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; Al-Cl-H-O; AlH12(ClO2)3; crystal structure

OSTI Identifier:: 1199702

DOI:: https://doi.org/10.17188/1199702

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                    Materials Data on AlH12(ClO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199702.

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                    Materials Data on AlH12(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199702

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                    2020.  
"Materials Data on AlH12(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199702.  https://www.osti.gov/servlets/purl/1199702. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1199702,

  title        = {Materials Data on AlH12(ClO2)3 by Materials Project},

  
  abstractNote = {AlH12(O2Cl)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.90 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two H1+ atoms. Cl1- is bonded in a 4-coordinate geometry to four H1+ atoms.},

  doi          = {10.17188/1199702},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1199702

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