Materials Data on Zr3O by Materials Project

doi:10.17188/1189886

Title: Materials Data on Zr3O by Materials Project

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Abstract

Zr3O is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both Zr–O bond lengths are 2.29 Å. O is bonded to six equivalent Zr atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-14024

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; Zr3O; O-Zr

OSTI Identifier:: 1189886

DOI:: https://doi.org/10.17188/1189886

Citation Formats


                    The Materials Project. Materials Data on Zr3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189886.

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                    The Materials Project. Materials Data on Zr3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1189886

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                    The Materials Project. 2020.  
"Materials Data on Zr3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1189886.  https://www.osti.gov/servlets/purl/1189886. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189886,

  title        = {Materials Data on Zr3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3O is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both Zr–O bond lengths are 2.29 Å. O is bonded to six equivalent Zr atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.},

  doi          = {10.17188/1189886},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189886

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