Materials Data on Cu2SnS3 by Materials Project

doi:10.17188/1739765

Title: Materials Data on Cu2SnS3 by Materials Project

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Abstract

Cu2SnS3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent SnS4 tetrahedra and corners with seven equivalent CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with two equivalent SnS4 tetrahedra and corners with ten equivalent CuS4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.55 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Sn4+ atoms to form corner-sharing SCu2Sn2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cu1+ and one Sn4+ atom to form corner-sharing SCu3Sn tetrahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1225832

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; Cu2SnS3; Cu-S-Sn

OSTI Identifier:: 1739765

DOI:: https://doi.org/10.17188/1739765

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                    The Materials Project. Materials Data on Cu2SnS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739765.

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                    The Materials Project. Materials Data on Cu2SnS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739765

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                    The Materials Project. 2020.  
"Materials Data on Cu2SnS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739765.  https://www.osti.gov/servlets/purl/1739765. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1739765,

  title        = {Materials Data on Cu2SnS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2SnS3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent SnS4 tetrahedra and corners with seven equivalent CuS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–S bond lengths. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with two equivalent SnS4 tetrahedra and corners with ten equivalent CuS4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.55 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Sn4+ atoms to form corner-sharing SCu2Sn2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cu1+ and one Sn4+ atom to form corner-sharing SCu3Sn tetrahedra.},

  doi          = {10.17188/1739765},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1739765

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