Materials Data on FeCu2SnS4 by Materials Project

doi:10.17188/1278910

Title: Materials Data on FeCu2SnS4 by Materials Project

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Abstract

Cu2FeSnS4 is Stannite-like structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.31 Å. Cu+1.50+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Sn2+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.49 Å. S2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SFeCu2Sn tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-628568

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; FeCu2SnS4; Cu-Fe-S-Sn

OSTI Identifier:: 1278910

DOI:: https://doi.org/10.17188/1278910

Citation Formats


                    The Materials Project. Materials Data on FeCu2SnS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278910.

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                    The Materials Project. Materials Data on FeCu2SnS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278910

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                    The Materials Project. 2020.  
"Materials Data on FeCu2SnS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278910.  https://www.osti.gov/servlets/purl/1278910. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1278910,

  title        = {Materials Data on FeCu2SnS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2FeSnS4 is Stannite-like structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.31 Å. Cu+1.50+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Sn2+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.49 Å. S2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SFeCu2Sn tetrahedra.},

  doi          = {10.17188/1278910},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1278910

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