Materials Data on Cr(GaS2)2 by Materials Project

doi:10.17188/1281829

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

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Abstract

Cr(GaS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr2+ is bonded to four equivalent S2- atoms to form CrS4 tetrahedra that share corners with twelve equivalent GaS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cr–S bond lengths are 2.19 Å. Ga3+ is bonded to six equivalent S2- atoms to form GaS6 octahedra that share corners with six equivalent CrS4 tetrahedra and edges with six equivalent GaS6 octahedra. All Ga–S bond lengths are 2.53 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Cr2+ and three equivalent Ga3+ atoms.

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-672297

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; Cr(GaS2)2; Cr-Ga-S; crystal structure

OSTI Identifier:: 1281829

DOI:: https://doi.org/10.17188/1281829

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                    Materials Data on Cr(GaS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281829.

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                    Materials Data on Cr(GaS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281829

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                    2020.  
"Materials Data on Cr(GaS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281829.  https://www.osti.gov/servlets/purl/1281829. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1281829,

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

  
  abstractNote = {Cr(GaS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr2+ is bonded to four equivalent S2- atoms to form CrS4 tetrahedra that share corners with twelve equivalent GaS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cr–S bond lengths are 2.19 Å. Ga3+ is bonded to six equivalent S2- atoms to form GaS6 octahedra that share corners with six equivalent CrS4 tetrahedra and edges with six equivalent GaS6 octahedra. All Ga–S bond lengths are 2.53 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Cr2+ and three equivalent Ga3+ atoms.},

  doi          = {10.17188/1281829},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1281829

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