Materials Data on MgVO3 by Materials Project

doi:10.17188/1349444

Title: Materials Data on MgVO3 by Materials Project

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Abstract

MgVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Mg–O bond lengths are 2.67 Å. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent V4+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1016886

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; MgVO3; crystal structure

OSTI Identifier:: 1349444

DOI:: https://doi.org/10.17188/1349444

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                    Materials Data on MgVO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349444.

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                    Materials Data on MgVO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349444

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                    2020.  
"Materials Data on MgVO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349444.  https://www.osti.gov/servlets/purl/1349444. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1349444,

  title        = {Materials Data on MgVO3 by Materials Project},

  
  abstractNote = {MgVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Mg–O bond lengths are 2.67 Å. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent V4+ atoms.},

  doi          = {10.17188/1349444},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1349444

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Materials Data on MgVO3 by Materials Project

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