Materials Data on Ba(CuP)2 by Materials Project

doi:10.17188/1654932

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

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Abstract

Ba(CuP)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ba–P bond lengths are 3.12 Å. Cu2+ is bonded in a distorted single-bond geometry to one P3- atom. The Cu–P bond length is 2.28 Å. P3- is bonded in a 4-coordinate geometry to one Ba2+, one Cu2+, and two equivalent P3- atoms. There are one shorter (2.20 Å) and one longer (2.21 Å) P–P bond lengths.

Publication Date:: 2019-01-11

Other Number(s):: mp-1215132

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(CuP)2; Ba-Cu-P; crystal structure

OSTI Identifier:: 1654932

DOI:: https://doi.org/10.17188/1654932

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                    Materials Data on Ba(CuP)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1654932.

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                    Materials Data on Ba(CuP)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654932

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                    2019.  
"Materials Data on Ba(CuP)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654932.  https://www.osti.gov/servlets/purl/1654932. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1654932,

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

  
  abstractNote = {Ba(CuP)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ba–P bond lengths are 3.12 Å. Cu2+ is bonded in a distorted single-bond geometry to one P3- atom. The Cu–P bond length is 2.28 Å. P3- is bonded in a 4-coordinate geometry to one Ba2+, one Cu2+, and two equivalent P3- atoms. There are one shorter (2.20 Å) and one longer (2.21 Å) P–P bond lengths.},

  doi          = {10.17188/1654932},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1654932

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