Materials Data on MgVBiO6 by Materials Project

doi:10.17188/1319045

Title: Materials Data on MgVBiO6 by Materials Project

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Abstract

MgVBiO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.98–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent MgO5 square pyramids. There are a spread of V–O bond distances ranging from 1.69–1.90 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Bi5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mvc-14113

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; MgVBiO6; Bi-Mg-O-V

OSTI Identifier:: 1319045

DOI:: https://doi.org/10.17188/1319045

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                    The Materials Project. Materials Data on MgVBiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319045.

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                    The Materials Project. Materials Data on MgVBiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319045

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                    The Materials Project. 2020.  
"Materials Data on MgVBiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319045.  https://www.osti.gov/servlets/purl/1319045. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1319045,

  title        = {Materials Data on MgVBiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgVBiO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.98–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent MgO5 square pyramids. There are a spread of V–O bond distances ranging from 1.69–1.90 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Bi5+ atoms.},

  doi          = {10.17188/1319045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1319045

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