Materials Data on NaNbO2F by Materials Project

doi:10.17188/1269912

Title: Materials Data on NaNbO2F by Materials Project

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Abstract

NaNbO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent F1- atoms. There are two shorter (2.49 Å) and two longer (2.61 Å) Na–O bond lengths. There are one shorter (2.36 Å) and one longer (2.68 Å) Na–F bond lengths. Nb4+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. There are two shorter (2.01 Å) and two longer (2.02 Å) Nb–O bond lengths. Both Nb–F bond lengths are 2.17 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-557590

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; NaNbO2F; F-Na-Nb-O

OSTI Identifier:: 1269912

DOI:: https://doi.org/10.17188/1269912

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                    The Materials Project. Materials Data on NaNbO2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269912.

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                    The Materials Project. Materials Data on NaNbO2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1269912

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                    The Materials Project. 2020.  
"Materials Data on NaNbO2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1269912.  https://www.osti.gov/servlets/purl/1269912. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1269912,

  title        = {Materials Data on NaNbO2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaNbO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent F1- atoms. There are two shorter (2.49 Å) and two longer (2.61 Å) Na–O bond lengths. There are one shorter (2.36 Å) and one longer (2.68 Å) Na–F bond lengths. Nb4+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. There are two shorter (2.01 Å) and two longer (2.02 Å) Nb–O bond lengths. Both Nb–F bond lengths are 2.17 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms.},

  doi          = {10.17188/1269912},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269912

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