Materials Data on YAgTe2 by Materials Project

doi:10.17188/1716467

Title: Materials Data on YAgTe2 by Materials Project

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Abstract

YAgTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Y3+ is bonded to six Te2- atoms to form YTe6 octahedra that share corners with six equivalent AgTe4 tetrahedra, edges with six equivalent YTe6 octahedra, and edges with three equivalent AgTe4 tetrahedra. There are three shorter (3.08 Å) and three longer (3.17 Å) Y–Te bond lengths. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with six equivalent YTe6 octahedra, corners with six equivalent AgTe4 tetrahedra, and edges with three equivalent YTe6 octahedra. The corner-sharing octahedra tilt angles range from 12–58°. There are one shorter (2.80 Å) and three longer (2.83 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Y3+ and one Ag1+ atom to form distorted TeY3Ag trigonal pyramids that share corners with six equivalent TeY3Ag3 octahedra, corners with six equivalent TeY3Ag trigonal pyramids, and edges with three equivalent TeY3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 3–67°. In the second Te2- site, Te2- is bonded to three equivalent Y3+ and three equivalent Ag1+ atoms to form TeY3Ag3 octahedra that share corners with six equivalent TeY3Ag trigonal pyramids,more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1215907

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; YAgTe2; Ag-Te-Y

OSTI Identifier:: 1716467

DOI:: https://doi.org/10.17188/1716467

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                    The Materials Project. Materials Data on YAgTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716467.

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                    The Materials Project. Materials Data on YAgTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716467

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                    The Materials Project. 2020.  
"Materials Data on YAgTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716467.  https://www.osti.gov/servlets/purl/1716467. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1716467,

  title        = {Materials Data on YAgTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YAgTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Y3+ is bonded to six Te2- atoms to form YTe6 octahedra that share corners with six equivalent AgTe4 tetrahedra, edges with six equivalent YTe6 octahedra, and edges with three equivalent AgTe4 tetrahedra. There are three shorter (3.08 Å) and three longer (3.17 Å) Y–Te bond lengths. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with six equivalent YTe6 octahedra, corners with six equivalent AgTe4 tetrahedra, and edges with three equivalent YTe6 octahedra. The corner-sharing octahedra tilt angles range from 12–58°. There are one shorter (2.80 Å) and three longer (2.83 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Y3+ and one Ag1+ atom to form distorted TeY3Ag trigonal pyramids that share corners with six equivalent TeY3Ag3 octahedra, corners with six equivalent TeY3Ag trigonal pyramids, and edges with three equivalent TeY3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 3–67°. In the second Te2- site, Te2- is bonded to three equivalent Y3+ and three equivalent Ag1+ atoms to form TeY3Ag3 octahedra that share corners with six equivalent TeY3Ag trigonal pyramids, edges with six equivalent TeY3Ag3 octahedra, and edges with three equivalent TeY3Ag trigonal pyramids.},

  doi          = {10.17188/1716467},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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