Materials Data on FeCu2GeSe4 by Materials Project

doi:10.17188/1666512

Title: Materials Data on FeCu2GeSe4 by Materials Project

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Abstract

Cu2FeGeSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Fe–Se bond lengths are 2.43 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. All Cu–Se bond lengths are 2.41 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Ge–Se bond lengths are 2.49 Å. Se2- is bonded to one Fe2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SeFeCu2Ge tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1087471

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; FeCu2GeSe4; Cu-Fe-Ge-Se

OSTI Identifier:: 1666512

DOI:: https://doi.org/10.17188/1666512

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                    The Materials Project. Materials Data on FeCu2GeSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1666512.

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                    The Materials Project. Materials Data on FeCu2GeSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666512

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                    The Materials Project. 2020.  
"Materials Data on FeCu2GeSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666512.  https://www.osti.gov/servlets/purl/1666512. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1666512,

  title        = {Materials Data on FeCu2GeSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2FeGeSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Fe–Se bond lengths are 2.43 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. All Cu–Se bond lengths are 2.41 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Ge–Se bond lengths are 2.49 Å. Se2- is bonded to one Fe2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SeFeCu2Ge tetrahedra.},

  doi          = {10.17188/1666512},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1666512

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