Materials Data on BaTeO4 by Materials Project

doi:10.17188/1674487

Title: Materials Data on BaTeO4 by Materials Project

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Abstract

BaTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.23 Å. Te6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Te6+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1191752

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; BaTeO4; Ba-O-Te

OSTI Identifier:: 1674487

DOI:: https://doi.org/10.17188/1674487

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                    The Materials Project. Materials Data on BaTeO4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1674487.

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                    The Materials Project. Materials Data on BaTeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674487

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                    The Materials Project. 2019.  
"Materials Data on BaTeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674487.  https://www.osti.gov/servlets/purl/1674487. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1674487,

  title        = {Materials Data on BaTeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaTeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.23 Å. Te6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Te6+ atom.},

  doi          = {10.17188/1674487},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1674487

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