Materials Data on VO2 by Materials Project

doi:10.17188/1305110

Title: Materials Data on VO2 by Materials Project

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Abstract

VO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.71–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-07-24

Other Number(s):: mp-777479

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; VO2; O-V

OSTI Identifier:: 1305110

DOI:: https://doi.org/10.17188/1305110

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                    The Materials Project. Materials Data on VO2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1305110.

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                    The Materials Project. Materials Data on VO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1305110

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                    The Materials Project. 2017.  
"Materials Data on VO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1305110.  https://www.osti.gov/servlets/purl/1305110. Pub date:Mon Jul 24 00:00:00 EDT 2017

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@article{osti_1305110,

  title        = {Materials Data on VO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.71–1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms.},

  doi          = {10.17188/1305110},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1305110

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