Materials Data on BaZr(BO3)2 by Materials Project

doi:10.17188/1270815

Title: Materials Data on BaZr(BO3)2 by Materials Project

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Abstract

BaZr(BO3)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.83 Å. Zr4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zr–O bond lengths are 2.11 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 1-coordinate geometry to one Ba2+, one Zr4+, and one B3+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-559348

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; BaZr(BO3)2; B-Ba-O-Zr

OSTI Identifier:: 1270815

DOI:: https://doi.org/10.17188/1270815

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                    The Materials Project. Materials Data on BaZr(BO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270815.

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                    The Materials Project. Materials Data on BaZr(BO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270815

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                    The Materials Project. 2020.  
"Materials Data on BaZr(BO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270815.  https://www.osti.gov/servlets/purl/1270815. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1270815,

  title        = {Materials Data on BaZr(BO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaZr(BO3)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.83 Å. Zr4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zr–O bond lengths are 2.11 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 1-coordinate geometry to one Ba2+, one Zr4+, and one B3+ atom.},

  doi          = {10.17188/1270815},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270815

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