Materials Data on Na3AuCl6 by Materials Project

doi:10.17188/1745099

Title: Materials Data on Na3AuCl6 by Materials Project

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Abstract

(Na)2NaAuCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one NaAuCl6 framework. In the NaAuCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent AuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.68 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Au3+ atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1113311

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Au-Cl-Na; Na3AuCl6; crystal structure

OSTI Identifier:: 1745099

DOI:: https://doi.org/10.17188/1745099

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                    Materials Data on Na3AuCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745099.

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                    Materials Data on Na3AuCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745099

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                    2020.  
"Materials Data on Na3AuCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745099.  https://www.osti.gov/servlets/purl/1745099. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1745099,

  title        = {Materials Data on Na3AuCl6 by Materials Project},

  
  abstractNote = {(Na)2NaAuCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one NaAuCl6 framework. In the NaAuCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent AuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.68 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Au3+ atom.},

  doi          = {10.17188/1745099},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745099

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