Materials Data on NbO2F by Materials Project

doi:10.17188/1206944

Title: Materials Data on NbO2F by Materials Project

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Abstract

NbO2F crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ 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 24–29°. There is two shorter (1.95 Å) and two longer (1.96 Å) Nb–O bond length. Both Nb–F bond lengths are 2.09 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. F1- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-35171

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; NbO2F; F-Nb-O

OSTI Identifier:: 1206944

DOI:: https://doi.org/10.17188/1206944

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                    The Materials Project. Materials Data on NbO2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206944.

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                    The Materials Project. Materials Data on NbO2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1206944

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                    The Materials Project. 2020.  
"Materials Data on NbO2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1206944.  https://www.osti.gov/servlets/purl/1206944. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1206944,

  title        = {Materials Data on NbO2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NbO2F crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb5+ 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 24–29°. There is two shorter (1.95 Å) and two longer (1.96 Å) Nb–O bond length. Both Nb–F bond lengths are 2.09 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms. F1- is bonded in a bent 150 degrees geometry to two equivalent Nb5+ atoms.},

  doi          = {10.17188/1206944},

  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/10.17188/1206944

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Materials Data on NbO2F by Materials Project

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