Materials Data on BaCuTeF by Materials Project

doi:10.17188/1189502

Title: Materials Data on BaCuTeF by Materials Project

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Abstract

BaCuTeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent F1- atoms. All Ba–Te bond lengths are 3.59 Å. All Ba–F bond lengths are 2.69 Å. Cu1+ is bonded to four equivalent Te2- atoms to form a mixture of corner and edge-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.69 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-13287

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; BaCuTeF; Ba-Cu-F-Te

OSTI Identifier:: 1189502

DOI:: https://doi.org/10.17188/1189502

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                    The Materials Project. Materials Data on BaCuTeF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189502.

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                    The Materials Project. Materials Data on BaCuTeF by Materials Project.  United States.  doi:https://doi.org/10.17188/1189502

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                    The Materials Project. 2020.  
"Materials Data on BaCuTeF by Materials Project".  United States.  doi:https://doi.org/10.17188/1189502.  https://www.osti.gov/servlets/purl/1189502. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189502,

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

  author       = {The Materials Project},

  abstractNote = {BaCuTeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent F1- atoms. All Ba–Te bond lengths are 3.59 Å. All Ba–F bond lengths are 2.69 Å. Cu1+ is bonded to four equivalent Te2- atoms to form a mixture of corner and edge-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.69 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.},

  doi          = {10.17188/1189502},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189502

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