Materials Data on TiZnO3 by Materials Project

doi:10.17188/1349451

Title: Materials Data on TiZnO3 by Materials Project

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Abstract

ZnTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.92 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Zn–O bond lengths are 2.72 Å. O2- is bonded in a distorted linear geometry to two equivalent Ti4+ and four equivalent Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1016927

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; TiZnO3; O-Ti-Zn

OSTI Identifier:: 1349451

DOI:: https://doi.org/10.17188/1349451

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                    The Materials Project. Materials Data on TiZnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349451.

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                    The Materials Project. Materials Data on TiZnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349451

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                    The Materials Project. 2020.  
"Materials Data on TiZnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349451.  https://www.osti.gov/servlets/purl/1349451. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1349451,

  title        = {Materials Data on TiZnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.92 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Zn–O bond lengths are 2.72 Å. O2- is bonded in a distorted linear geometry to two equivalent Ti4+ and four equivalent Zn2+ atoms.},

  doi          = {10.17188/1349451},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349451

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