Materials Data on Cu3TeS3Cl by Materials Project

doi:10.17188/1269875

Title: Materials Data on Cu3TeS3Cl by Materials Project

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Abstract

CuClCu2TeS3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cu1+ is bonded to three equivalent S2- and one Cl1- atom to form CuS3Cl tetrahedra that share corners with four equivalent TeS3Cl tetrahedra and corners with eight equivalent CuS3Cl tetrahedra. There are two shorter (2.28 Å) and one longer (2.34 Å) Cu–S bond lengths. The Cu–Cl bond length is 2.46 Å. Te4+ is bonded to three equivalent S2- and one Cl1- atom to form distorted TeS3Cl tetrahedra that share corners with twelve equivalent CuS3Cl tetrahedra. All Te–S bond lengths are 2.44 Å. The Te–Cl bond length is 3.25 Å. S2- is bonded to three equivalent Cu1+ and one Te4+ atom to form distorted corner-sharing SCu3Te tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Cu1+ and one Te4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-557510

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; Cu3TeS3Cl; Cl-Cu-S-Te

OSTI Identifier:: 1269875

DOI:: https://doi.org/10.17188/1269875

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                    The Materials Project. Materials Data on Cu3TeS3Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269875.

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                    The Materials Project. Materials Data on Cu3TeS3Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1269875

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                    The Materials Project. 2020.  
"Materials Data on Cu3TeS3Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1269875.  https://www.osti.gov/servlets/purl/1269875. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1269875,

  title        = {Materials Data on Cu3TeS3Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuClCu2TeS3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cu1+ is bonded to three equivalent S2- and one Cl1- atom to form CuS3Cl tetrahedra that share corners with four equivalent TeS3Cl tetrahedra and corners with eight equivalent CuS3Cl tetrahedra. There are two shorter (2.28 Å) and one longer (2.34 Å) Cu–S bond lengths. The Cu–Cl bond length is 2.46 Å. Te4+ is bonded to three equivalent S2- and one Cl1- atom to form distorted TeS3Cl tetrahedra that share corners with twelve equivalent CuS3Cl tetrahedra. All Te–S bond lengths are 2.44 Å. The Te–Cl bond length is 3.25 Å. S2- is bonded to three equivalent Cu1+ and one Te4+ atom to form distorted corner-sharing SCu3Te tetrahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Cu1+ and one Te4+ atom.},

  doi          = {10.17188/1269875},

  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/10.17188/1269875

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