Materials Data on P10Au7I by Materials Project

doi:10.17188/1201587

Title: Materials Data on P10Au7I by Materials Project

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Abstract

(AuP2)2Au5P6I crystallizes in the hexagonal P-62m space group. The structure is one-dimensional and consists of two AuP2 clusters and one Au5P6I ribbon oriented in the (0, 0, 1) direction. In each AuP2 cluster, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.35 Å. P+0.20+ is bonded in a single-bond geometry to one Au+0.14- atom. In the Au5P6I ribbon, there are two inequivalent Au+0.14- sites. In the first Au+0.14- site, Au+0.14- is bonded to three equivalent P+0.20+ and one I1- atom to form distorted corner-sharing AuP3I trigonal pyramids. All Au–P bond lengths are 2.38 Å. The Au–I bond length is 3.07 Å. In the second Au+0.14- site, Au+0.14- is bonded in a bent 150 degrees geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.37 Å. P+0.20+ is bonded in a water-like geometry to two Au+0.14- atoms. I1- is bonded in a linear geometry to two equivalent Au+0.14- atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-27370

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; P10Au7I; Au-I-P

OSTI Identifier:: 1201587

DOI:: https://doi.org/10.17188/1201587

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                    The Materials Project. Materials Data on P10Au7I by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201587.

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                    The Materials Project. Materials Data on P10Au7I by Materials Project.  United States.  doi:https://doi.org/10.17188/1201587

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                    The Materials Project. 2020.  
"Materials Data on P10Au7I by Materials Project".  United States.  doi:https://doi.org/10.17188/1201587.  https://www.osti.gov/servlets/purl/1201587. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1201587,

  title        = {Materials Data on P10Au7I by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(AuP2)2Au5P6I crystallizes in the hexagonal P-62m space group. The structure is one-dimensional and consists of two AuP2 clusters and one Au5P6I ribbon oriented in the (0, 0, 1) direction. In each AuP2 cluster, Au+0.14- is bonded in a linear geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.35 Å. P+0.20+ is bonded in a single-bond geometry to one Au+0.14- atom. In the Au5P6I ribbon, there are two inequivalent Au+0.14- sites. In the first Au+0.14- site, Au+0.14- is bonded to three equivalent P+0.20+ and one I1- atom to form distorted corner-sharing AuP3I trigonal pyramids. All Au–P bond lengths are 2.38 Å. The Au–I bond length is 3.07 Å. In the second Au+0.14- site, Au+0.14- is bonded in a bent 150 degrees geometry to two equivalent P+0.20+ atoms. Both Au–P bond lengths are 2.37 Å. P+0.20+ is bonded in a water-like geometry to two Au+0.14- atoms. I1- is bonded in a linear geometry to two equivalent Au+0.14- atoms.},

  doi          = {10.17188/1201587},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201587

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