Materials Data on ZnO2 by Materials Project

doi:10.17188/1308129

Title: Materials Data on ZnO2 by Materials Project

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Abstract

ZnO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with twelve equivalent ZnO6 octahedra and corners with six equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Zn–O bond lengths are 2.14 Å. O is bonded to three equivalent Zn and one O atom to form OZn3O tetrahedra that share corners with three equivalent ZnO6 octahedra and corners with fifteen equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 71°. The O–O bond length is 1.50 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8484

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; ZnO2; O-Zn

OSTI Identifier:: 1308129

DOI:: https://doi.org/10.17188/1308129

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                    The Materials Project. Materials Data on ZnO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308129.

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                    The Materials Project. Materials Data on ZnO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308129

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                    The Materials Project. 2020.  
"Materials Data on ZnO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308129.  https://www.osti.gov/servlets/purl/1308129. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1308129,

  title        = {Materials Data on ZnO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with twelve equivalent ZnO6 octahedra and corners with six equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Zn–O bond lengths are 2.14 Å. O is bonded to three equivalent Zn and one O atom to form OZn3O tetrahedra that share corners with three equivalent ZnO6 octahedra and corners with fifteen equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 71°. The O–O bond length is 1.50 Å.},

  doi          = {10.17188/1308129},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308129

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Materials Data on ZnO2 by Materials Project

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