Materials Data on Ba2TeO by Materials Project

doi:10.17188/1752759

Title: Materials Data on Ba2TeO by Materials Project

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Abstract

Ba2TeO crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted single-bond geometry to five equivalent Te2- and one O2- atom. There are four shorter (3.64 Å) and one longer (3.74 Å) Ba–Te bond lengths. The Ba–O bond length is 2.48 Å. In the second Ba2+ site, Ba2+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing BaO4 trigonal pyramids. All Ba–O bond lengths are 2.71 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. O2- is bonded in a 5-coordinate geometry to five Ba2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1078191

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; Ba2TeO; Ba-O-Te

OSTI Identifier:: 1752759

DOI:: https://doi.org/10.17188/1752759

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                    The Materials Project. Materials Data on Ba2TeO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752759.

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                    The Materials Project. Materials Data on Ba2TeO by Materials Project.  United States.  doi:https://doi.org/10.17188/1752759

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                    The Materials Project. 2020.  
"Materials Data on Ba2TeO by Materials Project".  United States.  doi:https://doi.org/10.17188/1752759.  https://www.osti.gov/servlets/purl/1752759. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1752759,

  title        = {Materials Data on Ba2TeO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2TeO crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a distorted single-bond geometry to five equivalent Te2- and one O2- atom. There are four shorter (3.64 Å) and one longer (3.74 Å) Ba–Te bond lengths. The Ba–O bond length is 2.48 Å. In the second Ba2+ site, Ba2+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing BaO4 trigonal pyramids. All Ba–O bond lengths are 2.71 Å. Te2- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. O2- is bonded in a 5-coordinate geometry to five Ba2+ atoms.},

  doi          = {10.17188/1752759},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1752759

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