Materials Data on Na2RuAuF6 by Materials Project

doi:10.17188/1724979

Title: Materials Data on Na2RuAuF6 by Materials Project

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Abstract

Na2RuAuF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form distorted NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent RuF6 octahedra, and faces with four equivalent AuF6 octahedra. All Na–F bond lengths are 3.12 Å. Ru5+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–F bond lengths are 2.03 Å. Au1- is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent RuF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.37 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Ru5+, and one Au1- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1111087

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; Na2RuAuF6; Au-F-Na-Ru

OSTI Identifier:: 1724979

DOI:: https://doi.org/10.17188/1724979

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                    The Materials Project. Materials Data on Na2RuAuF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724979.

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                    The Materials Project. Materials Data on Na2RuAuF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724979

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                    The Materials Project. 2020.  
"Materials Data on Na2RuAuF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724979.  https://www.osti.gov/servlets/purl/1724979. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1724979,

  title        = {Materials Data on Na2RuAuF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2RuAuF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form distorted NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent RuF6 octahedra, and faces with four equivalent AuF6 octahedra. All Na–F bond lengths are 3.12 Å. Ru5+ is bonded to six equivalent F1- atoms to form RuF6 octahedra that share corners with six equivalent AuF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–F bond lengths are 2.03 Å. Au1- is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent RuF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.37 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Ru5+, and one Au1- atom.},

  doi          = {10.17188/1724979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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