Materials Data on Cd4SF6 by Materials Project

doi:10.17188/1330157

Title: Materials Data on Cd4SF6 by Materials Project

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Abstract

Cd4SF6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Cd2+ is bonded to one S2- and six F1- atoms to form a mixture of distorted edge and corner-sharing CdSF6 pentagonal bipyramids. The Cd–S bond length is 2.48 Å. There are a spread of Cd–F bond distances ranging from 2.31–2.64 Å. S2- is bonded to four equivalent Cd2+ atoms to form SCd4 tetrahedra that share corners with eight equivalent FCd4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Cd2+ atoms. In the second F1- site, F1- is bonded to four equivalent Cd2+ atoms to form FCd4 tetrahedra that share corners with four equivalent SCd4 tetrahedra and edges with two equivalent FCd4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1013726

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; Cd4SF6; Cd-F-S

OSTI Identifier:: 1330157

DOI:: https://doi.org/10.17188/1330157

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                    The Materials Project. Materials Data on Cd4SF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1330157.

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                    The Materials Project. Materials Data on Cd4SF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1330157

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                    The Materials Project. 2020.  
"Materials Data on Cd4SF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1330157.  https://www.osti.gov/servlets/purl/1330157. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1330157,

  title        = {Materials Data on Cd4SF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd4SF6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Cd2+ is bonded to one S2- and six F1- atoms to form a mixture of distorted edge and corner-sharing CdSF6 pentagonal bipyramids. The Cd–S bond length is 2.48 Å. There are a spread of Cd–F bond distances ranging from 2.31–2.64 Å. S2- is bonded to four equivalent Cd2+ atoms to form SCd4 tetrahedra that share corners with eight equivalent FCd4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent Cd2+ atoms. In the second F1- site, F1- is bonded to four equivalent Cd2+ atoms to form FCd4 tetrahedra that share corners with four equivalent SCd4 tetrahedra and edges with two equivalent FCd4 tetrahedra.},

  doi          = {10.17188/1330157},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1330157

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