Materials Data on MgO2 by Materials Project

doi:10.17188/1726978

Title: Materials Data on MgO2 by Materials Project

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Abstract

MgO2 is pyrite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form edge-sharing MgO6 octahedra. All Mg–O bond lengths are 2.11 Å. O is bonded in a 4-coordinate geometry to three equivalent Mg and one O atom. The O–O bond length is 1.49 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1180271

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; MgO2; Mg-O

OSTI Identifier:: 1726978

DOI:: https://doi.org/10.17188/1726978

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                    The Materials Project. Materials Data on MgO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1726978.

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                    The Materials Project. Materials Data on MgO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1726978

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                    The Materials Project. 2020.  
"Materials Data on MgO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1726978.  https://www.osti.gov/servlets/purl/1726978. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1726978,

  title        = {Materials Data on MgO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgO2 is pyrite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form edge-sharing MgO6 octahedra. All Mg–O bond lengths are 2.11 Å. O is bonded in a 4-coordinate geometry to three equivalent Mg and one O atom. The O–O bond length is 1.49 Å.},

  doi          = {10.17188/1726978},

  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/10.17188/1726978

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Materials Data on MgO2 by Materials Project

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MgO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with twelve equivalent MgO6 octahedra and corners with six equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 69°. All Mg–O bond lengths are 2.11 Å. O is bonded to three equivalent Mg and one O atom to form OMg3O tetrahedra that share corners with three equivalent MgO6 octahedra and corners with fifteen equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 72°. The O–O bond length is 1.51more » Å.« less
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