Materials Data on FeCu2GeS4 by Materials Project

doi:10.17188/1197319

Title: Materials Data on FeCu2GeS4 by Materials Project

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Abstract

Cu2FeGeS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.30 Å. Cu1+ 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 GeS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ge–S bond lengths are 2.30 Å. S2- is bonded to one Fe2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SFeCu2Ge tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-22053

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; FeCu2GeS4; Cu-Fe-Ge-S

OSTI Identifier:: 1197319

DOI:: https://doi.org/10.17188/1197319

Citation Formats


                    The Materials Project. Materials Data on FeCu2GeS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197319.

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                    The Materials Project. Materials Data on FeCu2GeS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197319

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                    The Materials Project. 2020.  
"Materials Data on FeCu2GeS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197319.  https://www.osti.gov/servlets/purl/1197319. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197319,

  title        = {Materials Data on FeCu2GeS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2FeGeS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.30 Å. Cu1+ 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 GeS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ge–S bond lengths are 2.30 Å. S2- is bonded to one Fe2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SFeCu2Ge tetrahedra.},

  doi          = {10.17188/1197319},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197319

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