Materials Data on SbOF3 by Materials Project

doi:10.17188/1680956

Title: Materials Data on SbOF3 by Materials Project

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Abstract

SbOF3 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two SbOF3 sheets oriented in the (0, 0, 1) direction. Sb5+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing SbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sb–O bond lengths are 1.90 Å. There is two shorter (1.89 Å) and two longer (2.07 Å) Sb–F bond length. O2- is bonded in a linear geometry to two equivalent Sb5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sb5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1101381

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; SbOF3; F-O-Sb

OSTI Identifier:: 1680956

DOI:: https://doi.org/10.17188/1680956

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                    The Materials Project. Materials Data on SbOF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680956.

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                    The Materials Project. Materials Data on SbOF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680956

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                    The Materials Project. 2020.  
"Materials Data on SbOF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680956.  https://www.osti.gov/servlets/purl/1680956. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1680956,

  title        = {Materials Data on SbOF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbOF3 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two SbOF3 sheets oriented in the (0, 0, 1) direction. Sb5+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing SbO2F4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Sb–O bond lengths are 1.90 Å. There is two shorter (1.89 Å) and two longer (2.07 Å) Sb–F bond length. O2- is bonded in a linear geometry to two equivalent Sb5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Sb5+ atoms.},

  doi          = {10.17188/1680956},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680956

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