Materials Data on Ba(YTe2)2 by Materials Project

doi:10.17188/1192744

Title: Materials Data on Ba(YTe2)2 by Materials Project

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Abstract

BaY2Te4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.57–3.76 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing YTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Y–Te bond distances ranging from 3.07–3.13 Å. In the second Y3+ site, Y3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing YTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Y–Te bond distances ranging from 3.07–3.15 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ba2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2Y3 trigonal bipyramids. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Y3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Y3+ atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-17872

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; Ba(YTe2)2; Ba-Te-Y

OSTI Identifier:: 1192744

DOI:: https://doi.org/10.17188/1192744

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                    The Materials Project. Materials Data on Ba(YTe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192744.

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                    The Materials Project. Materials Data on Ba(YTe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192744

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                    The Materials Project. 2020.  
"Materials Data on Ba(YTe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192744.  https://www.osti.gov/servlets/purl/1192744. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1192744,

  title        = {Materials Data on Ba(YTe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaY2Te4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.57–3.76 Å. There are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing YTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Y–Te bond distances ranging from 3.07–3.13 Å. In the second Y3+ site, Y3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing YTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Y–Te bond distances ranging from 3.07–3.15 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ba2+ and three Y3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2Y3 trigonal bipyramids. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three equivalent Y3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Y3+ atoms. In the fourth Te2- site, Te2- is bonded to two equivalent Ba2+ and three equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing TeBa2Y3 square pyramids.},

  doi          = {10.17188/1192744},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1192744

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