Materials Data on TmCuTe2 by Materials Project

doi:10.17188/1666490

Title: Materials Data on TmCuTe2 by Materials Project

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Abstract

TmCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with twelve equivalent CuTe6 octahedra, edges with six equivalent TmTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Tm–Te bond lengths are 3.04 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent TmTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.86 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Tm3+ and three equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1206396

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; TmCuTe2; Cu-Te-Tm

OSTI Identifier:: 1666490

DOI:: https://doi.org/10.17188/1666490

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                    The Materials Project. Materials Data on TmCuTe2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1666490.

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                    The Materials Project. Materials Data on TmCuTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666490

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                    The Materials Project. 2019.  
"Materials Data on TmCuTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666490.  https://www.osti.gov/servlets/purl/1666490. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1666490,

  title        = {Materials Data on TmCuTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with twelve equivalent CuTe6 octahedra, edges with six equivalent TmTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Tm–Te bond lengths are 3.04 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent TmTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.86 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Tm3+ and three equivalent Cu1+ atoms.},

  doi          = {10.17188/1666490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1666490

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