Materials Data on LiAl2H6BrO6 by Materials Project

doi:10.17188/1681584

Title: Materials Data on LiAl2H6BrO6 by Materials Project

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Abstract

LiAl2(HO)6Br crystallizes in the hexagonal P6_3/mcm space group. The structure is two-dimensional and consists of two hydrobromic acid molecules and two LiAl2(HO)6 sheets oriented in the (0, 0, 1) direction. In each LiAl2(HO)6 sheet, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share edges with six equivalent AlO6 octahedra. All Li–O bond lengths are 2.15 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent AlO6 octahedra. All Al–O bond lengths are 1.92 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to one Li1+, two equivalent Al3+, and one H1+ atom.

Publication Date:: 2020-05-01

Other Number(s):: mp-1097038

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-Br-H-Li-O; LiAl2H6BrO6; crystal structure

OSTI Identifier:: 1681584

DOI:: https://doi.org/10.17188/1681584

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                    Materials Data on LiAl2H6BrO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681584.

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                    Materials Data on LiAl2H6BrO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681584

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                    2020.  
"Materials Data on LiAl2H6BrO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681584.  https://www.osti.gov/servlets/purl/1681584. Pub date:Fri May 01 04:00:00 UTC 2020

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@article{osti_1681584,

  title        = {Materials Data on LiAl2H6BrO6 by Materials Project},

  
  abstractNote = {LiAl2(HO)6Br crystallizes in the hexagonal P6_3/mcm space group. The structure is two-dimensional and consists of two hydrobromic acid molecules and two LiAl2(HO)6 sheets oriented in the (0, 0, 1) direction. In each LiAl2(HO)6 sheet, Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share edges with six equivalent AlO6 octahedra. All Li–O bond lengths are 2.15 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent AlO6 octahedra. All Al–O bond lengths are 1.92 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to one Li1+, two equivalent Al3+, and one H1+ atom.},

  doi          = {10.17188/1681584},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681584

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