Materials Data on Na6S2ClO8F by Materials Project

doi:10.17188/1199644

Title: Materials Data on Na6S2ClO8F by Materials Project

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Abstract

Na6(SO4)2FCl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2-, one Cl1-, and one F1- atom. All Na–O bond lengths are 2.46 Å. The Na–Cl bond length is 2.82 Å. The Na–F bond length is 2.27 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.49 Å. O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one S6+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form ClNa6 octahedra that share corners with six equivalent FNa6 octahedra. The corner-sharing octahedral tilt angles are 0°. F1- is bonded to six equivalent Na1+ atoms to form FNa6 octahedra that share corners with six equivalent ClNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-23657

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; Na6S2ClO8F; Cl-F-Na-O-S

OSTI Identifier:: 1199644

DOI:: https://doi.org/10.17188/1199644

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                    The Materials Project. Materials Data on Na6S2ClO8F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199644.

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                    The Materials Project. Materials Data on Na6S2ClO8F by Materials Project.  United States.  doi:https://doi.org/10.17188/1199644

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                    The Materials Project. 2020.  
"Materials Data on Na6S2ClO8F by Materials Project".  United States.  doi:https://doi.org/10.17188/1199644.  https://www.osti.gov/servlets/purl/1199644. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199644,

  title        = {Materials Data on Na6S2ClO8F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na6(SO4)2FCl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2-, one Cl1-, and one F1- atom. All Na–O bond lengths are 2.46 Å. The Na–Cl bond length is 2.82 Å. The Na–F bond length is 2.27 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.49 Å. O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one S6+ atom. Cl1- is bonded to six equivalent Na1+ atoms to form ClNa6 octahedra that share corners with six equivalent FNa6 octahedra. The corner-sharing octahedral tilt angles are 0°. F1- is bonded to six equivalent Na1+ atoms to form FNa6 octahedra that share corners with six equivalent ClNa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1199644},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199644

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