Materials Data on VPbOF5 by Materials Project

doi:10.17188/1677366

Title: Materials Data on VPbOF5 by Materials Project

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Abstract

VPbOF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. V5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 1.60 Å. There are four shorter (1.87 Å) and one longer (2.16 Å) V–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are two shorter (2.52 Å) and four longer (2.53 Å) Pb–F bond lengths. O2- is bonded in a single-bond geometry to one V5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1195912

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; VPbOF5; F-O-Pb-V

OSTI Identifier:: 1677366

DOI:: https://doi.org/10.17188/1677366

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                    The Materials Project. Materials Data on VPbOF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677366.

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                    The Materials Project. Materials Data on VPbOF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677366

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                    The Materials Project. 2020.  
"Materials Data on VPbOF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677366.  https://www.osti.gov/servlets/purl/1677366. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677366,

  title        = {Materials Data on VPbOF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VPbOF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. V5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 1.60 Å. There are four shorter (1.87 Å) and one longer (2.16 Å) V–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are two shorter (2.52 Å) and four longer (2.53 Å) Pb–F bond lengths. O2- is bonded in a single-bond geometry to one V5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom.},

  doi          = {10.17188/1677366},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677366

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