Materials Data on Cu2GeS3 by Materials Project

doi:10.17188/1685640

Title: Materials Data on Cu2GeS3 by Materials Project

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Abstract

Cu2GeS3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent GeS4 tetrahedra and corners with seven equivalent CuS4 tetrahedra. There are three shorter (2.29 Å) and one longer (2.32 Å) Cu–S bond lengths. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent GeS4 tetrahedra and corners with ten equivalent CuS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.39 Å) Ge–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing SCu2Ge2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing SCu3Ge tetrahedra.

Authors:: The Materials Project

Publication Date:: Sun Apr 26 00:00:00 EDT 2020

Other Number(s):: mp-1072589

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; Cu2GeS3; Cu-Ge-S

OSTI Identifier:: 1685640

DOI:: https://doi.org/10.17188/1685640

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                    The Materials Project. Materials Data on Cu2GeS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685640.

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                    The Materials Project. Materials Data on Cu2GeS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685640

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                    The Materials Project. 2020.  
"Materials Data on Cu2GeS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685640.  https://www.osti.gov/servlets/purl/1685640. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1685640,

  title        = {Materials Data on Cu2GeS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2GeS3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent GeS4 tetrahedra and corners with seven equivalent CuS4 tetrahedra. There are three shorter (2.29 Å) and one longer (2.32 Å) Cu–S bond lengths. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent GeS4 tetrahedra and corners with ten equivalent CuS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.39 Å) Ge–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing SCu2Ge2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing SCu3Ge tetrahedra.},

  doi          = {10.17188/1685640},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Apr 26 00:00:00 EDT 2020},

  month        = {Sun Apr 26 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1685640

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