Materials Data on V2OF8 by Materials Project

doi:10.17188/1757852

Title: Materials Data on V2OF8 by Materials Project

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Abstract

V2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two V2OF8 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles are 46°. The V–O bond length is 2.04 Å. There are a spread of V–F bond distances ranging from 1.74–2.02 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The V–O bond length is 1.66 Å. There are a spread of V–F bond distances ranging from 1.75–2.17 Å. O2- is bonded in a distorted linear geometry to two V5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent V5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V5+more »« less

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1101223

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; V2OF8; F-O-V

OSTI Identifier:: 1757852

DOI:: https://doi.org/10.17188/1757852

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                    The Materials Project. Materials Data on V2OF8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757852.

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                    The Materials Project. Materials Data on V2OF8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757852

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                    The Materials Project. 2020.  
"Materials Data on V2OF8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757852.  https://www.osti.gov/servlets/purl/1757852. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757852,

  title        = {Materials Data on V2OF8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two V2OF8 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles are 46°. The V–O bond length is 2.04 Å. There are a spread of V–F bond distances ranging from 1.74–2.02 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The V–O bond length is 1.66 Å. There are a spread of V–F bond distances ranging from 1.75–2.17 Å. O2- is bonded in a distorted linear geometry to two V5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent V5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the sixth F1- site, F1- is bonded in a distorted L-shaped geometry to two equivalent V5+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the ninth F1- site, F1- is bonded in an L-shaped geometry to two equivalent V5+ atoms.},

  doi          = {10.17188/1757852},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757852

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