Materials Data on Cd(AuF6)2 by Materials Project

doi:10.17188/1269970

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

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Abstract

Cd(AuF6)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Au–F bond distances ranging from 1.92–1.99 Å. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with six equivalent AuF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are two shorter (2.27 Å) and four longer (2.28 Å) Cd–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ 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. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Cd2+ atom. In the sixth F1-more »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-557715

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

OSTI Identifier:: 1269970

DOI:: https://doi.org/10.17188/1269970

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                    The Materials Project. Materials Data on Cd(AuF6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269970.

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                    The Materials Project. Materials Data on Cd(AuF6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269970

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                    The Materials Project. 2020.  
"Materials Data on Cd(AuF6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269970.  https://www.osti.gov/servlets/purl/1269970. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1269970,

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

  author       = {The Materials Project},

  abstractNote = {Cd(AuF6)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent CdF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Au–F bond distances ranging from 1.92–1.99 Å. Cd2+ is bonded to six F1- atoms to form CdF6 octahedra that share corners with six equivalent AuF6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are two shorter (2.27 Å) and four longer (2.28 Å) Cd–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Cd2+ 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. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Cd2+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom.},

  doi          = {10.17188/1269970},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269970

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