Materials Data on Mg6MnO8 by Materials Project

doi:10.17188/1194097

Title: Materials Data on Mg6MnO8 by Materials Project

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Abstract

Mg6MnO8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.12 Å) and four longer (2.13 Å) Mg–O bond lengths. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share edges with twelve equivalent MgO6 octahedra. All Mn–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Mg2+ atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve equivalent OMg4Mn square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Mg2+ and one Mn4+ atom to form OMg4Mn square pyramids that share corners with nine equivalent OMg4Mn square pyramids, edges with four equivalent OMg6 octahedra, and edges with four equivalent OMg4Mn square pyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-19239

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; Mg6MnO8; Mg-Mn-O

OSTI Identifier:: 1194097

DOI:: https://doi.org/10.17188/1194097

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                    The Materials Project. Materials Data on Mg6MnO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194097.

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                    The Materials Project. Materials Data on Mg6MnO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194097

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                    The Materials Project. 2020.  
"Materials Data on Mg6MnO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194097.  https://www.osti.gov/servlets/purl/1194097. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1194097,

  title        = {Materials Data on Mg6MnO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg6MnO8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are two shorter (2.12 Å) and four longer (2.13 Å) Mg–O bond lengths. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share edges with twelve equivalent MgO6 octahedra. All Mn–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Mg2+ atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve equivalent OMg4Mn square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Mg2+ and one Mn4+ atom to form OMg4Mn square pyramids that share corners with nine equivalent OMg4Mn square pyramids, edges with four equivalent OMg6 octahedra, and edges with four equivalent OMg4Mn square pyramids.},

  doi          = {10.17188/1194097},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194097

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