Materials Data on KCoCuS2 by Materials Project

doi:10.17188/1740995

Title: Materials Data on KCoCuS2 by Materials Project

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Abstract

KCoCuS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.32 Å. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. S2- is bonded in a 8-coordinate geometry to four equivalent K1+, two equivalent Co2+, and two equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1223456

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; KCoCuS2; Co-Cu-K-S

OSTI Identifier:: 1740995

DOI:: https://doi.org/10.17188/1740995

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                    The Materials Project. Materials Data on KCoCuS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740995.

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                    The Materials Project. Materials Data on KCoCuS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740995

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                    The Materials Project. 2020.  
"Materials Data on KCoCuS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740995.  https://www.osti.gov/servlets/purl/1740995. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740995,

  title        = {Materials Data on KCoCuS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KCoCuS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.32 Å. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. S2- is bonded in a 8-coordinate geometry to four equivalent K1+, two equivalent Co2+, and two equivalent Cu1+ atoms.},

  doi          = {10.17188/1740995},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740995

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