Materials Data on PAuClF3 by Materials Project

doi:10.17188/1270374

Title: Materials Data on PAuClF3 by Materials Project

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Abstract

AuCl(PF3) crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AuCl(PF3) clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.21 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a 4-coordinate geometry to one Au1- and three F1- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) P–F bond length. Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-558523

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; PAuClF3; Au-Cl-F-P

OSTI Identifier:: 1270374

DOI:: https://doi.org/10.17188/1270374

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                    The Materials Project. Materials Data on PAuClF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270374.

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                    The Materials Project. Materials Data on PAuClF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270374

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                    The Materials Project. 2020.  
"Materials Data on PAuClF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270374.  https://www.osti.gov/servlets/purl/1270374. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1270374,

  title        = {Materials Data on PAuClF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuCl(PF3) crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four AuCl(PF3) clusters. Au1- is bonded in a linear geometry to one P5+ and one Cl1- atom. The Au–P bond length is 2.21 Å. The Au–Cl bond length is 2.30 Å. P5+ is bonded in a 4-coordinate geometry to one Au1- and three F1- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) P–F bond length. Cl1- is bonded in a distorted single-bond geometry to one Au1- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.},

  doi          = {10.17188/1270374},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270374

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