Materials Data on MgV2O6 by Materials Project

doi:10.17188/1679239

Title: Materials Data on MgV2O6 by Materials Project

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Abstract

MgV2O6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are two shorter (2.05 Å) and four longer (2.22 Å) Mg–O bond lengths. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar 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.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1176494

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; MgV2O6; Mg-O-V

OSTI Identifier:: 1679239

DOI:: https://doi.org/10.17188/1679239

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                    The Materials Project. Materials Data on MgV2O6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679239.

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                    The Materials Project. Materials Data on MgV2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679239

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                    The Materials Project. 2020.  
"Materials Data on MgV2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679239.  https://www.osti.gov/servlets/purl/1679239. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1679239,

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

  author       = {The Materials Project},

  abstractNote = {MgV2O6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form edge-sharing MgO6 octahedra. There are two shorter (2.05 Å) and four longer (2.22 Å) Mg–O bond lengths. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.70–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar 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          = {10.17188/1679239},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1679239

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Materials Data on MgV2O6 by Materials Project

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