Materials Data on NaI(OF)2 by Materials Project

doi:10.17188/1268271

Title: Materials Data on NaI(OF)2 by Materials Project

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Abstract

NaI(OF)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded to two equivalent O2- and four equivalent F1- atoms to form edge-sharing NaO2F4 octahedra. Both Na–O bond lengths are 2.39 Å. All Na–F bond lengths are 2.39 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a distorted see-saw-like geometry to two equivalent O2- and two equivalent F1- atoms. Both I–F bond lengths are 2.07 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one I5+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-554948

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; NaI(OF)2; F-I-Na-O

OSTI Identifier:: 1268271

DOI:: https://doi.org/10.17188/1268271

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                    The Materials Project. Materials Data on NaI(OF)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268271.

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                    The Materials Project. Materials Data on NaI(OF)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268271

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                    The Materials Project. 2020.  
"Materials Data on NaI(OF)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268271.  https://www.osti.gov/servlets/purl/1268271. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1268271,

  title        = {Materials Data on NaI(OF)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaI(OF)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded to two equivalent O2- and four equivalent F1- atoms to form edge-sharing NaO2F4 octahedra. Both Na–O bond lengths are 2.39 Å. All Na–F bond lengths are 2.39 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a distorted see-saw-like geometry to two equivalent O2- and two equivalent F1- atoms. Both I–F bond lengths are 2.07 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one I5+ atom.},

  doi          = {10.17188/1268271},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268271

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