Materials Data on BaIBr by Materials Project

doi:10.17188/1753635

Title: Materials Data on BaIBr by Materials Project

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Abstract

BaBrI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent I1- and four equivalent Br1- atoms. There are a spread of Ba–I bond distances ranging from 3.69–3.78 Å. There are a spread of Ba–Br bond distances ranging from 3.33–3.36 Å. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. Br1- is bonded to four equivalent Ba2+ atoms to form a mixture of distorted edge and corner-sharing BrBa4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1214491

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; BaIBr; Ba-Br-I

OSTI Identifier:: 1753635

DOI:: https://doi.org/10.17188/1753635

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                    The Materials Project. Materials Data on BaIBr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753635.

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                    The Materials Project. Materials Data on BaIBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1753635

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                    The Materials Project. 2020.  
"Materials Data on BaIBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1753635.  https://www.osti.gov/servlets/purl/1753635. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1753635,

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

  author       = {The Materials Project},

  abstractNote = {BaBrI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent I1- and four equivalent Br1- atoms. There are a spread of Ba–I bond distances ranging from 3.69–3.78 Å. There are a spread of Ba–Br bond distances ranging from 3.33–3.36 Å. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. Br1- is bonded to four equivalent Ba2+ atoms to form a mixture of distorted edge and corner-sharing BrBa4 tetrahedra.},

  doi          = {10.17188/1753635},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1753635

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