Materials Data on MgZnO2 by Materials Project

doi:10.17188/1744073

Title: Materials Data on MgZnO2 by Materials Project

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Abstract

MgZnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent ZnO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mg–O bond lengths are 2.12 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Zn–O bond lengths are 2.17 Å. O2- is bonded to three equivalent Mg2+ and three equivalent Zn2+ atoms to form a mixture of corner and edge-sharing OMg3Zn3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1221939

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; MgZnO2; Mg-O-Zn

OSTI Identifier:: 1744073

DOI:: https://doi.org/10.17188/1744073

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                    The Materials Project. Materials Data on MgZnO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744073.

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                    The Materials Project. Materials Data on MgZnO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744073

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                    The Materials Project. 2020.  
"Materials Data on MgZnO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744073.  https://www.osti.gov/servlets/purl/1744073. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744073,

  title        = {Materials Data on MgZnO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgZnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent ZnO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mg–O bond lengths are 2.12 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with six equivalent MgO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Zn–O bond lengths are 2.17 Å. O2- is bonded to three equivalent Mg2+ and three equivalent Zn2+ atoms to form a mixture of corner and edge-sharing OMg3Zn3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1744073},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744073

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