Materials Data on Ba2HCl2 by Materials Project

doi:10.17188/1746937

Title: Materials Data on Ba2HCl2 by Materials Project

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Abstract

Ba2HCl2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ba2HCl2 cluster. Ba is bonded in a linear geometry to one H and one Cl atom. The Ba–H bond length is 2.53 Å. The Ba–Cl bond length is 2.71 Å. H is bonded in a linear geometry to two equivalent Ba atoms. Cl is bonded in a single-bond geometry to one Ba atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1214876

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; Ba-Cl-H; Ba2HCl2; crystal structure

OSTI Identifier:: 1746937

DOI:: https://doi.org/10.17188/1746937

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                    Materials Data on Ba2HCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746937.

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                    Materials Data on Ba2HCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746937

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                    2020.  
"Materials Data on Ba2HCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746937.  https://www.osti.gov/servlets/purl/1746937. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1746937,

  title        = {Materials Data on Ba2HCl2 by Materials Project},

  
  abstractNote = {Ba2HCl2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Ba2HCl2 cluster. Ba is bonded in a linear geometry to one H and one Cl atom. The Ba–H bond length is 2.53 Å. The Ba–Cl bond length is 2.71 Å. H is bonded in a linear geometry to two equivalent Ba atoms. Cl is bonded in a single-bond geometry to one Ba atom.},

  doi          = {10.17188/1746937},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1746937

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