Materials Data on BaHBrO by Materials Project

doi:10.17188/1280244

Title: Materials Data on BaHBrO by Materials Project

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Abstract

BaHOBr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Br1- atoms. There are one shorter (2.64 Å) and two longer (2.66 Å) Ba–O bond lengths. There are two shorter (3.52 Å) and three longer (3.53 Å) Ba–Br bond lengths. 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 distorted single-bond geometry to three equivalent Ba2+ and one H1+ atom. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-643036

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; BaHBrO; Ba-Br-H-O

OSTI Identifier:: 1280244

DOI:: https://doi.org/10.17188/1280244

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                    The Materials Project. Materials Data on BaHBrO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280244.

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                    The Materials Project. Materials Data on BaHBrO by Materials Project.  United States.  doi:https://doi.org/10.17188/1280244

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                    The Materials Project. 2020.  
"Materials Data on BaHBrO by Materials Project".  United States.  doi:https://doi.org/10.17188/1280244.  https://www.osti.gov/servlets/purl/1280244. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1280244,

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

  author       = {The Materials Project},

  abstractNote = {BaHOBr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Br1- atoms. There are one shorter (2.64 Å) and two longer (2.66 Å) Ba–O bond lengths. There are two shorter (3.52 Å) and three longer (3.53 Å) Ba–Br bond lengths. 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 distorted single-bond geometry to three equivalent Ba2+ and one H1+ atom. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.},

  doi          = {10.17188/1280244},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280244

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