Materials Data on YTmTe2 by Materials Project

doi:10.17188/1675951

Title: Materials Data on YTmTe2 by Materials Project

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Abstract

TmYTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to six Te atoms to form TmTe6 octahedra that share corners with six equivalent TmTe6 octahedra, edges with four equivalent TmTe6 octahedra, and edges with eight equivalent YTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.06 Å) and two longer (3.07 Å) Tm–Te bond lengths. Y is bonded to six Te atoms to form YTe6 octahedra that share corners with six equivalent YTe6 octahedra, edges with four equivalent YTe6 octahedra, and edges with eight equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.06 Å) and two longer (3.07 Å) Y–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded to two equivalent Tm and four equivalent Y atoms to form a mixture of edge and corner-sharing TeY4Tm2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te site, Te is bonded to four equivalent Tm and two equivalent Y atoms to form TeY2Tm4 octahedra that share corners with six equivalent TeY2Tm4 octahedra and edges with twelve TeY4Tm2 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1215888

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; YTmTe2; Te-Tm-Y

OSTI Identifier:: 1675951

DOI:: https://doi.org/10.17188/1675951

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                    The Materials Project. Materials Data on YTmTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675951.

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                    The Materials Project. Materials Data on YTmTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675951

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                    The Materials Project. 2020.  
"Materials Data on YTmTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675951.  https://www.osti.gov/servlets/purl/1675951. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1675951,

  title        = {Materials Data on YTmTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmYTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to six Te atoms to form TmTe6 octahedra that share corners with six equivalent TmTe6 octahedra, edges with four equivalent TmTe6 octahedra, and edges with eight equivalent YTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.06 Å) and two longer (3.07 Å) Tm–Te bond lengths. Y is bonded to six Te atoms to form YTe6 octahedra that share corners with six equivalent YTe6 octahedra, edges with four equivalent YTe6 octahedra, and edges with eight equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.06 Å) and two longer (3.07 Å) Y–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded to two equivalent Tm and four equivalent Y atoms to form a mixture of edge and corner-sharing TeY4Tm2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te site, Te is bonded to four equivalent Tm and two equivalent Y atoms to form TeY2Tm4 octahedra that share corners with six equivalent TeY2Tm4 octahedra and edges with twelve TeY4Tm2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1675951},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675951

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