Materials Data on Cu3SbS3 by Materials Project

doi:10.17188/1280733

Title: Materials Data on Cu3SbS3 by Materials Project

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Abstract

Cu3SbS3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in an L-shaped geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.46 Å. S2- is bonded to three Cu1+ and one Sb3+ atom to form distorted corner-sharing SCu3Sb tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-647606

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; Cu3SbS3; Cu-S-Sb

OSTI Identifier:: 1280733

DOI:: https://doi.org/10.17188/1280733

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                    The Materials Project. Materials Data on Cu3SbS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280733.

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                    The Materials Project. Materials Data on Cu3SbS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280733

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                    The Materials Project. 2020.  
"Materials Data on Cu3SbS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280733.  https://www.osti.gov/servlets/purl/1280733. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1280733,

  title        = {Materials Data on Cu3SbS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu3SbS3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in an L-shaped geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.46 Å. S2- is bonded to three Cu1+ and one Sb3+ atom to form distorted corner-sharing SCu3Sb tetrahedra.},

  doi          = {10.17188/1280733},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280733

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