Materials Data on Ba(P2Au)2 by Materials Project

doi:10.17188/1747445

Title: Materials Data on Ba(P2Au)2 by Materials Project

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Abstract

Ba(AuP2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to four equivalent Au1+ and four equivalent P1- atoms. All Ba–Au bond lengths are 3.41 Å. All Ba–P bond lengths are 3.53 Å. Au1+ is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent P1- atoms. Both Au–P bond lengths are 2.39 Å. P1- is bonded in a 1-coordinate geometry to one Ba2+, one Au1+, and two equivalent P1- atoms. There are one shorter (2.21 Å) and one longer (2.24 Å) P–P bond lengths.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1104130

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(P2Au)2; Au-Ba-P

OSTI Identifier:: 1747445

DOI:: https://doi.org/10.17188/1747445

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                    The Materials Project. Materials Data on Ba(P2Au)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747445.

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                    The Materials Project. Materials Data on Ba(P2Au)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747445

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                    The Materials Project. 2020.  
"Materials Data on Ba(P2Au)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747445.  https://www.osti.gov/servlets/purl/1747445. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1747445,

  title        = {Materials Data on Ba(P2Au)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(AuP2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to four equivalent Au1+ and four equivalent P1- atoms. All Ba–Au bond lengths are 3.41 Å. All Ba–P bond lengths are 3.53 Å. Au1+ is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent P1- atoms. Both Au–P bond lengths are 2.39 Å. P1- is bonded in a 1-coordinate geometry to one Ba2+, one Au1+, and two equivalent P1- atoms. There are one shorter (2.21 Å) and one longer (2.24 Å) P–P bond lengths.},

  doi          = {10.17188/1747445},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1747445

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