Materials Data on InGa(AgS2)2 by Materials Project

doi:10.17188/1749064

Title: Materials Data on InGa(AgS2)2 by Materials Project

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Abstract

InGa(AgS2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent InS4 tetrahedra, and corners with four equivalent GaS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent InS4 tetrahedra, and corners with four equivalent GaS4 tetrahedra. All Ag–S bond lengths are 2.56 Å. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight AgS4 tetrahedra. All In–S bond lengths are 2.51 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight AgS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two Ag1+, one In3+, and one Ga3+ atom to form corner-sharing SInGaAg2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1223852

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; InGa(AgS2)2; Ag-Ga-In-S

OSTI Identifier:: 1749064

DOI:: https://doi.org/10.17188/1749064

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                    The Materials Project. Materials Data on InGa(AgS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749064.

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                    The Materials Project. Materials Data on InGa(AgS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749064

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                    The Materials Project. 2020.  
"Materials Data on InGa(AgS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749064.  https://www.osti.gov/servlets/purl/1749064. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749064,

  title        = {Materials Data on InGa(AgS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {InGa(AgS2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent InS4 tetrahedra, and corners with four equivalent GaS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra, corners with four equivalent InS4 tetrahedra, and corners with four equivalent GaS4 tetrahedra. All Ag–S bond lengths are 2.56 Å. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight AgS4 tetrahedra. All In–S bond lengths are 2.51 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight AgS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two Ag1+, one In3+, and one Ga3+ atom to form corner-sharing SInGaAg2 tetrahedra.},

  doi          = {10.17188/1749064},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749064

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