Materials Data on Ba2CuSe2F by Materials Project

doi:10.17188/1732630

Title: Materials Data on Ba2CuSe2F by Materials Project

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Abstract

Ba2CuSe2F crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ba2CuSe2F ribbon oriented in the (0, 0, 1) direction. Ba2+ is bonded in a linear geometry to one Se2- and one F1- atom. The Ba–Se bond length is 2.92 Å. The Ba–F bond length is 2.50 Å. Cu1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Cu–Se bond lengths are 2.20 Å. Se2- is bonded in a linear geometry to one Ba2+ and one Cu1+ atom. F1- is bonded in a linear geometry to two equivalent Ba2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1214731

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; Ba2CuSe2F; Ba-Cu-F-Se

OSTI Identifier:: 1732630

DOI:: https://doi.org/10.17188/1732630

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                    The Materials Project. Materials Data on Ba2CuSe2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732630.

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                    The Materials Project. Materials Data on Ba2CuSe2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1732630

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                    The Materials Project. 2020.  
"Materials Data on Ba2CuSe2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1732630.  https://www.osti.gov/servlets/purl/1732630. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1732630,

  title        = {Materials Data on Ba2CuSe2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2CuSe2F crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one Ba2CuSe2F ribbon oriented in the (0, 0, 1) direction. Ba2+ is bonded in a linear geometry to one Se2- and one F1- atom. The Ba–Se bond length is 2.92 Å. The Ba–F bond length is 2.50 Å. Cu1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Cu–Se bond lengths are 2.20 Å. Se2- is bonded in a linear geometry to one Ba2+ and one Cu1+ atom. F1- is bonded in a linear geometry to two equivalent Ba2+ atoms.},

  doi          = {10.17188/1732630},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732630

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