Materials Data on Ba(CuP2)2 by Materials Project

doi:10.17188/1274452

Title: Materials Data on Ba(CuP2)2 by Materials Project

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Abstract

Ba(CuP2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent P1- atoms. There are four shorter (3.24 Å) and four longer (3.36 Å) Ba–P bond lengths. Cu1+ is bonded to four equivalent P1- atoms to form edge-sharing CuP4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.37 Å) Cu–P bond lengths. P1- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Cu1+, and two equivalent P1- atoms. There are one shorter (2.19 Å) and one longer (2.34 Å) P–P bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-568474

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; Ba(CuP2)2; Ba-Cu-P

OSTI Identifier:: 1274452

DOI:: https://doi.org/10.17188/1274452

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                    The Materials Project. Materials Data on Ba(CuP2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274452.

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                    The Materials Project. Materials Data on Ba(CuP2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274452

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                    The Materials Project. 2020.  
"Materials Data on Ba(CuP2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274452.  https://www.osti.gov/servlets/purl/1274452. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274452,

  title        = {Materials Data on Ba(CuP2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(CuP2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent P1- atoms. There are four shorter (3.24 Å) and four longer (3.36 Å) Ba–P bond lengths. Cu1+ is bonded to four equivalent P1- atoms to form edge-sharing CuP4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.37 Å) Cu–P bond lengths. P1- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Cu1+, and two equivalent P1- atoms. There are one shorter (2.19 Å) and one longer (2.34 Å) P–P bond lengths.},

  doi          = {10.17188/1274452},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274452

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