Materials Data on NbNOF4 by Materials Project

doi:10.17188/1707260

Title: Materials Data on NbNOF4 by Materials Project

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Abstract

(NbOF4)2N2 crystallizes in the tetragonal P4/nmm space group. The structure is one-dimensional and consists of two ammonia molecules and two NbOF4 ribbons oriented in the (0, 0, 1) direction. In each NbOF4 ribbon, Nb5+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (1.90 Å) and one longer (2.19 Å) Nb–O bond lengths. All Nb–F bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to two equivalent Nb5+ atoms. F1- is bonded in a single-bond geometry to one Nb5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 19 00:00:00 EDT 2018

Other Number(s):: mp-1105030

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; NbNOF4; F-N-Nb-O

OSTI Identifier:: 1707260

DOI:: https://doi.org/10.17188/1707260

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                    The Materials Project. Materials Data on NbNOF4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1707260.

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                    The Materials Project. Materials Data on NbNOF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707260

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                    The Materials Project. 2018.  
"Materials Data on NbNOF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707260.  https://www.osti.gov/servlets/purl/1707260. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1707260,

  title        = {Materials Data on NbNOF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NbOF4)2N2 crystallizes in the tetragonal P4/nmm space group. The structure is one-dimensional and consists of two ammonia molecules and two NbOF4 ribbons oriented in the (0, 0, 1) direction. In each NbOF4 ribbon, Nb5+ is bonded to two equivalent O2- and four equivalent F1- atoms to form corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (1.90 Å) and one longer (2.19 Å) Nb–O bond lengths. All Nb–F bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to two equivalent Nb5+ atoms. F1- is bonded in a single-bond geometry to one Nb5+ atom.},

  doi          = {10.17188/1707260},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 19 00:00:00 EDT 2018},

  month        = {Thu Jul 19 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1707260

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