Materials Data on Na3Mn2V3O12 by Materials Project

doi:10.17188/1710828

Title: Materials Data on Na3Mn2V3O12 by Materials Project

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Abstract

Na3V3Mn2O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.50 Å) and four longer (2.59 Å) Na–O bond lengths. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–O bond lengths are 1.75 Å. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Mn–O bond lengths are 2.05 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one V5+, and one Mn3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1210577

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; Na3Mn2V3O12; Mn-Na-O-V

OSTI Identifier:: 1710828

DOI:: https://doi.org/10.17188/1710828

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                    The Materials Project. Materials Data on Na3Mn2V3O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710828.

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                    The Materials Project. Materials Data on Na3Mn2V3O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1710828

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                    The Materials Project. 2020.  
"Materials Data on Na3Mn2V3O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1710828.  https://www.osti.gov/servlets/purl/1710828. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1710828,

  title        = {Materials Data on Na3Mn2V3O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3V3Mn2O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.50 Å) and four longer (2.59 Å) Na–O bond lengths. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–O bond lengths are 1.75 Å. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Mn–O bond lengths are 2.05 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one V5+, and one Mn3+ atom.},

  doi          = {10.17188/1710828},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1710828

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