Materials Data on Ba(CuS)2 by Materials Project

doi:10.17188/1208006

Title: Materials Data on Ba(CuS)2 by Materials Project

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Abstract

BaCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Ba–S bond lengths are 3.28 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.41 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms.

Publication Date:: 2020-05-28

Other Number(s):: mp-4255

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(CuS)2; Ba-Cu-S; crystal structure

OSTI Identifier:: 1208006

DOI:: https://doi.org/10.17188/1208006

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                    Materials Data on Ba(CuS)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208006.

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                    Materials Data on Ba(CuS)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208006

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                    2020.  
"Materials Data on Ba(CuS)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208006.  https://www.osti.gov/servlets/purl/1208006. Pub date:Thu May 28 20:00:00 EDT 2020

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@article{osti_1208006,

  title        = {Materials Data on Ba(CuS)2 by Materials Project},

  
  abstractNote = {BaCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Ba–S bond lengths are 3.28 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.41 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1208006},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1208006

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