Materials Data on MgV2O6 by Materials Project

doi:10.17188/1734203

Title: Materials Data on MgV2O6 by Materials Project

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Abstract

MgV2O6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.08–2.17 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.71–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one V5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent V5+ atoms.

Publication Date:: 2019-01-11

Other Number(s):: mp-1196870

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; Mg-O-V; MgV2O6; crystal structure

OSTI Identifier:: 1734203

DOI:: https://doi.org/10.17188/1734203

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                    Materials Data on MgV2O6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1734203.

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                    Materials Data on MgV2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734203

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                    2019.  
"Materials Data on MgV2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734203.  https://www.osti.gov/servlets/purl/1734203. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1734203,

  title        = {Materials Data on MgV2O6 by Materials Project},

  
  abstractNote = {MgV2O6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.08–2.17 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.71–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one V5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent V5+ atoms.},

  doi          = {10.17188/1734203},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1734203

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