Materials Data on Cd(GaS2)2 by Materials Project

doi:10.17188/1208163

Title: Materials Data on Cd(GaS2)2 by Materials Project

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Abstract

CdGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Cd–S bond lengths are 2.57 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 CdS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CdS4 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 Cd2+ and two Ga3+ atoms.

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-4452

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cd(GaS2)2; Cd-Ga-S; crystal structure

OSTI Identifier:: 1208163

DOI:: https://doi.org/10.17188/1208163

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                    Materials Data on Cd(GaS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208163.

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                    Materials Data on Cd(GaS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208163

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                    2020.  
"Materials Data on Cd(GaS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208163.  https://www.osti.gov/servlets/purl/1208163. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1208163,

  title        = {Materials Data on Cd(GaS2)2 by Materials Project},

  
  abstractNote = {CdGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Cd–S bond lengths are 2.57 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 CdS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CdS4 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 Cd2+ and two Ga3+ atoms.},

  doi          = {10.17188/1208163},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1208163

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