Materials Data on P3Au2 by Materials Project

doi:10.17188/1201456

Title: Materials Data on P3Au2 by Materials Project

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Abstract

Au2P3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Au+0.50+ sites. In the first Au+0.50+ site, Au+0.50+ is bonded in a distorted linear geometry to four P+0.33- atoms. There are two shorter (2.37 Å) and two longer (3.08 Å) Au–P bond lengths. In the second Au+0.50+ site, Au+0.50+ is bonded in a linear geometry to two equivalent P+0.33- atoms. Both Au–P bond lengths are 2.37 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 5-coordinate geometry to two equivalent Au+0.50+ and three P+0.33- atoms. There are two shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two Au+0.50+ and two P+0.33- atoms to form corner-sharing PP2Au2 tetrahedra. The P–P bond length is 2.22 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-27258

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; P3Au2; Au-P

OSTI Identifier:: 1201456

DOI:: https://doi.org/10.17188/1201456

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                    The Materials Project. Materials Data on P3Au2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201456.

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                    The Materials Project. Materials Data on P3Au2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201456

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                    The Materials Project. 2020.  
"Materials Data on P3Au2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201456.  https://www.osti.gov/servlets/purl/1201456. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1201456,

  title        = {Materials Data on P3Au2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Au2P3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Au+0.50+ sites. In the first Au+0.50+ site, Au+0.50+ is bonded in a distorted linear geometry to four P+0.33- atoms. There are two shorter (2.37 Å) and two longer (3.08 Å) Au–P bond lengths. In the second Au+0.50+ site, Au+0.50+ is bonded in a linear geometry to two equivalent P+0.33- atoms. Both Au–P bond lengths are 2.37 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 5-coordinate geometry to two equivalent Au+0.50+ and three P+0.33- atoms. There are two shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two Au+0.50+ and two P+0.33- atoms to form corner-sharing PP2Au2 tetrahedra. The P–P bond length is 2.22 Å.},

  doi          = {10.17188/1201456},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201456

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