Materials Data on Rb2V(OF2)2 by Materials Project

doi:10.17188/1719927

Title: Materials Data on Rb2V(OF2)2 by Materials Project

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Abstract

Rb2V(OF2)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to four O and eight F atoms. There are two shorter (3.19 Å) and two longer (3.28 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 3.00–3.39 Å. V is bonded in an octahedral geometry to two O and four F atoms. There is one shorter (1.68 Å) and one longer (1.97 Å) V–O bond length. There is two shorter (1.87 Å) and two longer (1.90 Å) V–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one V atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1179769

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; F-O-Rb-V; Rb2V(OF2)2; crystal structure

OSTI Identifier:: 1719927

DOI:: https://doi.org/10.17188/1719927

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                    Materials Data on Rb2V(OF2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719927.

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                    Materials Data on Rb2V(OF2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719927

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                    2020.  
"Materials Data on Rb2V(OF2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719927.  https://www.osti.gov/servlets/purl/1719927. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1719927,

  title        = {Materials Data on Rb2V(OF2)2 by Materials Project},

  
  abstractNote = {Rb2V(OF2)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to four O and eight F atoms. There are two shorter (3.19 Å) and two longer (3.28 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 3.00–3.39 Å. V is bonded in an octahedral geometry to two O and four F atoms. There is one shorter (1.68 Å) and one longer (1.97 Å) V–O bond length. There is two shorter (1.87 Å) and two longer (1.90 Å) V–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one V atom.},

  doi          = {10.17188/1719927},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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