Materials Data on Sr(AuF6)2 by Materials Project

doi:10.17188/1714671

Title: Materials Data on Sr(AuF6)2 by Materials Project

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Abstract

SrSr3(AuF6)8 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of one strontium molecule and one Sr3(AuF6)8 framework. In the Sr3(AuF6)8 framework, Sr2+ is bonded to eight F1- atoms to form distorted SrF8 hexagonal bipyramids that share corners with eight AuF6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There are four shorter (2.65 Å) and four longer (2.66 Å) Sr–F bond lengths. There are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent SrF8 hexagonal bipyramids. There is three shorter (1.91 Å) and three longer (1.98 Å) Au–F bond length. In the second Au5+ site, Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent SrF8 hexagonal bipyramids. There is three shorter (1.91 Å) and three longer (1.98 Å) Au–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Au5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and onemore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1208951

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; Sr(AuF6)2; Au-F-Sr

OSTI Identifier:: 1714671

DOI:: https://doi.org/10.17188/1714671

Citation Formats


                    The Materials Project. Materials Data on Sr(AuF6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1714671.

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                    The Materials Project. Materials Data on Sr(AuF6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1714671

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                    The Materials Project. 2020.  
"Materials Data on Sr(AuF6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1714671.  https://www.osti.gov/servlets/purl/1714671. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1714671,

  title        = {Materials Data on Sr(AuF6)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrSr3(AuF6)8 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of one strontium molecule and one Sr3(AuF6)8 framework. In the Sr3(AuF6)8 framework, Sr2+ is bonded to eight F1- atoms to form distorted SrF8 hexagonal bipyramids that share corners with eight AuF6 octahedra. The corner-sharing octahedra tilt angles range from 27–29°. There are four shorter (2.65 Å) and four longer (2.66 Å) Sr–F bond lengths. There are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent SrF8 hexagonal bipyramids. There is three shorter (1.91 Å) and three longer (1.98 Å) Au–F bond length. In the second Au5+ site, Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent SrF8 hexagonal bipyramids. There is three shorter (1.91 Å) and three longer (1.98 Å) Au–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Au5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Au5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom.},

  doi          = {10.17188/1714671},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1714671

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