Materials Data on Ga2CoS4 by Materials Project

doi:10.17188/1207895

Title: Materials Data on Ga2CoS4 by Materials Project

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Abstract

CoGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Co–S bond lengths are 2.27 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Co2+ and two Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-4152

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; Ga2CoS4; Co-Ga-S

OSTI Identifier:: 1207895

DOI:: https://doi.org/10.17188/1207895

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                    The Materials Project. Materials Data on Ga2CoS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207895.

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                    The Materials Project. Materials Data on Ga2CoS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207895

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                    The Materials Project. 2020.  
"Materials Data on Ga2CoS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207895.  https://www.osti.gov/servlets/purl/1207895. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1207895,

  title        = {Materials Data on Ga2CoS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Co–S bond lengths are 2.27 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Co2+ and two Ga3+ atoms.},

  doi          = {10.17188/1207895},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207895

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