Materials Data on LiH6BrO7 by Materials Project

doi:10.17188/1199845

Title: Materials Data on LiH6BrO7 by Materials Project

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Abstract

Li(H2O)3BrO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two hypobromous acid;trihydrate molecules and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In the Li(H2O)3 ribbon, Li is bonded to six equivalent O atoms to form face-sharing LiO6 octahedra. There are three shorter (2.16 Å) and three longer (2.18 Å) Li–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to two equivalent Li and two equivalent H atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-23985

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; Br-H-Li-O; LiH6BrO7; crystal structure

OSTI Identifier:: 1199845

DOI:: https://doi.org/10.17188/1199845

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                    Materials Data on LiH6BrO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199845.

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                    Materials Data on LiH6BrO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199845

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                    2020.  
"Materials Data on LiH6BrO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199845.  https://www.osti.gov/servlets/purl/1199845. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1199845,

  title        = {Materials Data on LiH6BrO7 by Materials Project},

  
  abstractNote = {Li(H2O)3BrO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two hypobromous acid;trihydrate molecules and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In the Li(H2O)3 ribbon, Li is bonded to six equivalent O atoms to form face-sharing LiO6 octahedra. There are three shorter (2.16 Å) and three longer (2.18 Å) Li–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to two equivalent Li and two equivalent H atoms.},

  doi          = {10.17188/1199845},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1199845

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