Materials Data on ZrCdO3 by Materials Project

doi:10.17188/1349461

Title: Materials Data on ZrCdO3 by Materials Project

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Abstract

CdZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.08 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. All Cd–O bond lengths are 2.94 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-1016845

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; ZrCdO3; Cd-O-Zr

OSTI Identifier:: 1349461

DOI:: https://doi.org/10.17188/1349461

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                    The Materials Project. Materials Data on ZrCdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349461.

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                    The Materials Project. Materials Data on ZrCdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349461

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                    The Materials Project. 2020.  
"Materials Data on ZrCdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349461.  https://www.osti.gov/servlets/purl/1349461. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1349461,

  title        = {Materials Data on ZrCdO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent CdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.08 Å. Cd2+ is bonded to twelve equivalent O2- atoms to form CdO12 cuboctahedra that share corners with twelve equivalent CdO12 cuboctahedra, faces with six equivalent CdO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. All Cd–O bond lengths are 2.94 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ and four equivalent Cd2+ atoms.},

  doi          = {10.17188/1349461},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349461

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