Materials Data on AgPtF6 by Materials Project

doi:10.17188/1651572

Title: Materials Data on AgPtF6 by Materials Project

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Abstract

PtAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Pt–F bond distances ranging from 1.95–1.97 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Ag–F bond distances ranging from 2.23–2.40 Å. In the second Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of Ag–F bond distances ranging from 2.24–2.41 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1214922

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; AgPtF6; Ag-F-Pt

OSTI Identifier:: 1651572

DOI:: https://doi.org/10.17188/1651572

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                    The Materials Project. Materials Data on AgPtF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651572.

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                    The Materials Project. Materials Data on AgPtF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651572

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                    The Materials Project. 2020.  
"Materials Data on AgPtF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651572.  https://www.osti.gov/servlets/purl/1651572. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1651572,

  title        = {Materials Data on AgPtF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Pt–F bond distances ranging from 1.95–1.97 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Ag–F bond distances ranging from 2.23–2.40 Å. In the second Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of Ag–F bond distances ranging from 2.24–2.41 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom.},

  doi          = {10.17188/1651572},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1651572

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