Materials Data on MgBO3 by Materials Project

doi:10.17188/1689336

Title: Materials Data on MgBO3 by Materials Project

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Abstract

MgBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent O atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Mg–O bond lengths are 2.37 Å. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.68 Å. O is bonded to four equivalent Mg and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing OMg4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

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

Other Number(s):: mp-1185693

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; MgBO3; B-Mg-O

OSTI Identifier:: 1689336

DOI:: https://doi.org/10.17188/1689336

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                    The Materials Project. Materials Data on MgBO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689336.

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                    The Materials Project. Materials Data on MgBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689336

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                    The Materials Project. 2020.  
"Materials Data on MgBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689336.  https://www.osti.gov/servlets/purl/1689336. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1689336,

  title        = {Materials Data on MgBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent O atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Mg–O bond lengths are 2.37 Å. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.68 Å. O is bonded to four equivalent Mg and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing OMg4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1689336},

  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/10.17188/1689336

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