Materials Data on ZnCuO3 by Materials Project

doi:10.17188/1718751

Title: Materials Data on ZnCuO3 by Materials Project

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Abstract

CuZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.87 Å. Zn is bonded to twelve equivalent O atoms to form distorted ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Zn–O bond lengths are 2.64 Å. O is bonded in a linear geometry to two equivalent Cu and four equivalent Zn atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1100778

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; ZnCuO3; Cu-O-Zn

OSTI Identifier:: 1718751

DOI:: https://doi.org/10.17188/1718751

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                    The Materials Project. Materials Data on ZnCuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718751.

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                    The Materials Project. Materials Data on ZnCuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718751

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                    The Materials Project. 2020.  
"Materials Data on ZnCuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718751.  https://www.osti.gov/servlets/purl/1718751. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1718751,

  title        = {Materials Data on ZnCuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–O bond lengths are 1.87 Å. Zn is bonded to twelve equivalent O atoms to form distorted ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent CuO6 octahedra. All Zn–O bond lengths are 2.64 Å. O is bonded in a linear geometry to two equivalent Cu and four equivalent Zn atoms.},

  doi          = {10.17188/1718751},

  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/10.17188/1718751

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