Materials Data on TlCdS2 by Materials Project

doi:10.17188/1300101

Title: Materials Data on TlCdS2 by Materials Project

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Abstract

CdTlS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent S+1.50- atoms to form CdS6 octahedra that share corners with twelve equivalent TlS6 octahedra, edges with six equivalent CdS6 octahedra, and faces with two equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–S bond lengths are 2.75 Å. Tl1+ is bonded to six equivalent S+1.50- atoms to form TlS6 octahedra that share corners with twelve equivalent CdS6 octahedra, edges with six equivalent TlS6 octahedra, and faces with two equivalent CdS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–S bond lengths are 2.99 Å. S+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7708

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; TlCdS2; Cd-S-Tl

OSTI Identifier:: 1300101

DOI:: https://doi.org/10.17188/1300101

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                    The Materials Project. Materials Data on TlCdS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300101.

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                    The Materials Project. Materials Data on TlCdS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300101

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                    The Materials Project. 2020.  
"Materials Data on TlCdS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300101.  https://www.osti.gov/servlets/purl/1300101. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1300101,

  title        = {Materials Data on TlCdS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CdTlS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent S+1.50- atoms to form CdS6 octahedra that share corners with twelve equivalent TlS6 octahedra, edges with six equivalent CdS6 octahedra, and faces with two equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–S bond lengths are 2.75 Å. Tl1+ is bonded to six equivalent S+1.50- atoms to form TlS6 octahedra that share corners with twelve equivalent CdS6 octahedra, edges with six equivalent TlS6 octahedra, and faces with two equivalent CdS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–S bond lengths are 2.99 Å. S+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.},

  doi          = {10.17188/1300101},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1300101

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