Materials Data on ZnCu2SnSe4 by Materials Project

doi:10.17188/1758005

Title: Materials Data on ZnCu2SnSe4 by Materials Project

Abstract

Cu2ZnSnSe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two Cu1+, one Zn2+, and one Sn4+ atom to form corner-sharing SeZnCu2Sn tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1078918

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; ZnCu2SnSe4; Cu-Se-Sn-Zn

OSTI Identifier:: 1758005

DOI:: https://doi.org/10.17188/1758005

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                    The Materials Project. Materials Data on ZnCu2SnSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758005.

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                    The Materials Project. Materials Data on ZnCu2SnSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758005

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                    The Materials Project. 2020.  
"Materials Data on ZnCu2SnSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758005.  https://www.osti.gov/servlets/purl/1758005. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758005,

  title        = {Materials Data on ZnCu2SnSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2ZnSnSe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two Cu1+, one Zn2+, and one Sn4+ atom to form corner-sharing SeZnCu2Sn tetrahedra.},

  doi          = {10.17188/1758005},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758005

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Works referenced in this record:

Highly conductive ZnO films with high near infrared transparency: Highly conductive ZnO films with high near infrared transparency
journal, February 2015

Hála, Matěj; Fujii, Shohei; Redinger, Alex
Progress in Photovoltaics: Research and Applications, Vol. 23, Issue 11
https://doi.org/10.1002/pip.2601

Crystallization of Cu2ZnSnSe4 compound by solid state reaction using elemental powders
journal, December 2010

Wibowo, Rachmat Adhi; Jung, Woon Hwa; Al-Faruqi, M. Hilmy
Materials Chemistry and Physics, Vol. 124, Issue 2-3
https://doi.org/10.1016/j.matchemphys.2010.08.020

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Title: Materials Data on ZnCu2SnSe4 by Materials Project

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