Materials Data on BaCdPF by Materials Project

doi:10.17188/1676903

Title: Materials Data on BaCdPF by Materials Project

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Abstract

BaFCdP 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 P3- and four equivalent F1- atoms. All Ba–P bond lengths are 3.51 Å. All Ba–F bond lengths are 2.68 Å. Cd2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CdP4 tetrahedra. All Cd–P bond lengths are 2.74 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1079603

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; BaCdPF; Ba-Cd-F-P

OSTI Identifier:: 1676903

DOI:: https://doi.org/10.17188/1676903

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                    The Materials Project. Materials Data on BaCdPF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676903.

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                    The Materials Project. Materials Data on BaCdPF by Materials Project.  United States.  doi:https://doi.org/10.17188/1676903

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                    The Materials Project. 2020.  
"Materials Data on BaCdPF by Materials Project".  United States.  doi:https://doi.org/10.17188/1676903.  https://www.osti.gov/servlets/purl/1676903. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1676903,

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

  author       = {The Materials Project},

  abstractNote = {BaFCdP 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 P3- and four equivalent F1- atoms. All Ba–P bond lengths are 3.51 Å. All Ba–F bond lengths are 2.68 Å. Cd2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CdP4 tetrahedra. All Cd–P bond lengths are 2.74 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.},

  doi          = {10.17188/1676903},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1676903

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