Materials Data on MgMnO3 by Materials Project

doi:10.17188/1299932

Title: Materials Data on MgMnO3 by Materials Project

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Abstract

MgMnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are three shorter (2.03 Å) and three longer (2.20 Å) Mg–O bond lengths. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There is three shorter (1.93 Å) and three longer (1.95 Å) Mn–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Mn4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-770618

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; MgMnO3; Mg-Mn-O

OSTI Identifier:: 1299932

DOI:: https://doi.org/10.17188/1299932

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                    The Materials Project. Materials Data on MgMnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299932.

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                    The Materials Project. Materials Data on MgMnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299932

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                    The Materials Project. 2020.  
"Materials Data on MgMnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299932.  https://www.osti.gov/servlets/purl/1299932. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1299932,

  title        = {Materials Data on MgMnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgMnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are three shorter (2.03 Å) and three longer (2.20 Å) Mg–O bond lengths. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There is three shorter (1.93 Å) and three longer (1.95 Å) Mn–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Mn4+ atoms.},

  doi          = {10.17188/1299932},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1299932

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