Materials Data on CoCu2GeSe4 by Materials Project

doi:10.17188/1707372

Title: Materials Data on CoCu2GeSe4 by Materials Project

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Abstract

Cu2CoGeSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Co2+ is bonded to four Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. There are one shorter (2.36 Å) and three longer (2.39 Å) Co–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. There are one shorter (2.44 Å) and three longer (2.47 Å) Ge–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Co2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SeCoCu2Ge tetrahedra. In the second Se2- site, Se2- is bonded to one Co2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SeCoCu2Ge tetrahedra. In the third Se2- site, Se2- is bondedmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1213845

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; CoCu2GeSe4; Co-Cu-Ge-Se

OSTI Identifier:: 1707372

DOI:: https://doi.org/10.17188/1707372

Citation Formats


                    The Materials Project. Materials Data on CoCu2GeSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707372.

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                    The Materials Project. Materials Data on CoCu2GeSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707372

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                    The Materials Project. 2020.  
"Materials Data on CoCu2GeSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707372.  https://www.osti.gov/servlets/purl/1707372. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707372,

  title        = {Materials Data on CoCu2GeSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2CoGeSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Co2+ is bonded to four Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. There are one shorter (2.36 Å) and three longer (2.39 Å) Co–Se bond lengths. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. There are one shorter (2.44 Å) and three longer (2.47 Å) Ge–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Co2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SeCoCu2Ge tetrahedra. In the second Se2- site, Se2- is bonded to one Co2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SeCoCu2Ge tetrahedra. In the third Se2- site, Se2- is bonded to one Co2+, two equivalent Cu1+, and one Ge4+ atom to form corner-sharing SeCoCu2Ge tetrahedra.},

  doi          = {10.17188/1707372},

  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/10.17188/1707372

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