Materials Data on VO3 by Materials Project

doi:10.17188/1759390

Title: Materials Data on VO3 by Materials Project

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Abstract

VO3 crystallizes in the tetragonal P4_2/ncm space group. The structure is one-dimensional and consists of two VO3 ribbons oriented in the (0, 0, 1) direction. V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.72–2.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent V and one O atom. The O–O bond length is 1.45 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one V and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent V atoms.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1208572

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; VO3; O-V

OSTI Identifier:: 1759390

DOI:: https://doi.org/10.17188/1759390

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                    The Materials Project. Materials Data on VO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759390.

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                    The Materials Project. Materials Data on VO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759390

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                    The Materials Project. 2020.  
"Materials Data on VO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759390.  https://www.osti.gov/servlets/purl/1759390. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759390,

  title        = {Materials Data on VO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VO3 crystallizes in the tetragonal P4_2/ncm space group. The structure is one-dimensional and consists of two VO3 ribbons oriented in the (0, 0, 1) direction. V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.72–2.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent V and one O atom. The O–O bond length is 1.45 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one V and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent V atoms.},

  doi          = {10.17188/1759390},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1759390

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