Materials Data on TlCdTe2 by Materials Project

doi:10.17188/1317427

Title: Materials Data on TlCdTe2 by Materials Project

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Abstract

CdTlTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Te+1.50- atoms to form CdTe6 octahedra that share corners with twelve equivalent TlTe6 octahedra, edges with six equivalent CdTe6 octahedra, and faces with two equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cd–Te bond lengths are 3.05 Å. Tl1+ is bonded to six equivalent Te+1.50- atoms to form TlTe6 octahedra that share corners with twelve equivalent CdTe6 octahedra, edges with six equivalent TlTe6 octahedra, and faces with two equivalent CdTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Tl–Te bond lengths are 3.29 Å. Te+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-998919

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; TlCdTe2; Cd-Te-Tl

OSTI Identifier:: 1317427

DOI:: https://doi.org/10.17188/1317427

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                    The Materials Project. Materials Data on TlCdTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317427.

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                    The Materials Project. Materials Data on TlCdTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317427

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                    The Materials Project. 2020.  
"Materials Data on TlCdTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317427.  https://www.osti.gov/servlets/purl/1317427. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1317427,

  title        = {Materials Data on TlCdTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdTlTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Te+1.50- atoms to form CdTe6 octahedra that share corners with twelve equivalent TlTe6 octahedra, edges with six equivalent CdTe6 octahedra, and faces with two equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cd–Te bond lengths are 3.05 Å. Tl1+ is bonded to six equivalent Te+1.50- atoms to form TlTe6 octahedra that share corners with twelve equivalent CdTe6 octahedra, edges with six equivalent TlTe6 octahedra, and faces with two equivalent CdTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Tl–Te bond lengths are 3.29 Å. Te+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.},

  doi          = {10.17188/1317427},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317427

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