Materials Data on LuTlTe2 by Materials Project

doi:10.17188/1349840

Title: Materials Data on LuTlTe2 by Materials Project

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Abstract

LuTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Lu–Te bond lengths are 3.05 Å. Tl1+ is bonded to six equivalent Te2- atoms to form distorted TlTe6 octahedra that share corners with six equivalent LuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.49 Å. Te2- is bonded to three equivalent Lu3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing TeLu3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1017508

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; LuTlTe2; Lu-Te-Tl

OSTI Identifier:: 1349840

DOI:: https://doi.org/10.17188/1349840

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                    The Materials Project. Materials Data on LuTlTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349840.

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                    The Materials Project. Materials Data on LuTlTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349840

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                    The Materials Project. 2020.  
"Materials Data on LuTlTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349840.  https://www.osti.gov/servlets/purl/1349840. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1349840,

  title        = {Materials Data on LuTlTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Lu–Te bond lengths are 3.05 Å. Tl1+ is bonded to six equivalent Te2- atoms to form distorted TlTe6 octahedra that share corners with six equivalent LuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.49 Å. Te2- is bonded to three equivalent Lu3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing TeLu3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1349840},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349840

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