Materials Data on ZnCu2GeSe4 by Materials Project

doi:10.17188/1187382

Title: Materials Data on ZnCu2GeSe4 by Materials Project

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Abstract

Cu2ZnGeSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. 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 GeSe4 tetrahedra. All Cu–Se bond lengths are 2.41 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Ge–Se bond lengths are 2.45 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Ge4+ atom to form corner-sharing SeZnCu2Ge tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-10824

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; ZnCu2GeSe4; Cu-Ge-Se-Zn

OSTI Identifier:: 1187382

DOI:: https://doi.org/10.17188/1187382

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                    The Materials Project. Materials Data on ZnCu2GeSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187382.

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                    The Materials Project. Materials Data on ZnCu2GeSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187382

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                    The Materials Project. 2020.  
"Materials Data on ZnCu2GeSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187382.  https://www.osti.gov/servlets/purl/1187382. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187382,

  title        = {Materials Data on ZnCu2GeSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2ZnGeSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. 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 GeSe4 tetrahedra. All Cu–Se bond lengths are 2.41 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Ge–Se bond lengths are 2.45 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Ge4+ atom to form corner-sharing SeZnCu2Ge tetrahedra.},

  doi          = {10.17188/1187382},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187382

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