Materials Data on Sb2OF8 by Materials Project

doi:10.17188/1291299

Title: Materials Data on Sb2OF8 by Materials Project

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Abstract

Sb2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Sb2OF8 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 44°. The Sb–O bond length is 1.99 Å. There is four shorter (1.89 Å) and one longer (2.10 Å) Sb–F bond length. In the second Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form a mixture of distorted corner and face-sharing SbOF5 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. The Sb–O bond length is 1.84 Å. There are a spread of Sb–F bond distances ranging from 1.87–2.11 Å. O2- is bonded in a linear geometry to two Sb5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-758899

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; Sb2OF8; F-O-Sb

OSTI Identifier:: 1291299

DOI:: https://doi.org/10.17188/1291299

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                    The Materials Project. Materials Data on Sb2OF8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291299.

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                    The Materials Project. Materials Data on Sb2OF8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291299

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                    The Materials Project. 2020.  
"Materials Data on Sb2OF8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291299.  https://www.osti.gov/servlets/purl/1291299. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1291299,

  title        = {Materials Data on Sb2OF8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sb2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Sb2OF8 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form corner-sharing SbOF5 octahedra. The corner-sharing octahedral tilt angles are 44°. The Sb–O bond length is 1.99 Å. There is four shorter (1.89 Å) and one longer (2.10 Å) Sb–F bond length. In the second Sb5+ site, Sb5+ is bonded to one O2- and five F1- atoms to form a mixture of distorted corner and face-sharing SbOF5 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. The Sb–O bond length is 1.84 Å. There are a spread of Sb–F bond distances ranging from 1.87–2.11 Å. O2- is bonded in a linear geometry to two Sb5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the ninth F1- site, F1- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms.},

  doi          = {10.17188/1291299},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1291299

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