Materials Data on Ag2GeS3 by Materials Project

doi:10.17188/1316949

Title: Materials Data on Ag2GeS3 by Materials Project

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Abstract

Ag2GeS3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with five equivalent GeS4 tetrahedra and corners with seven equivalent AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.55–2.61 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent GeS4 tetrahedra and corners with ten equivalent AgS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SAg2Ge2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SAg3Ge tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-9900

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; Ag2GeS3; Ag-Ge-S

OSTI Identifier:: 1316949

DOI:: https://doi.org/10.17188/1316949

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                    The Materials Project. Materials Data on Ag2GeS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316949.

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                    The Materials Project. Materials Data on Ag2GeS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316949

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                    The Materials Project. 2020.  
"Materials Data on Ag2GeS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316949.  https://www.osti.gov/servlets/purl/1316949. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1316949,

  title        = {Materials Data on Ag2GeS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2GeS3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with five equivalent GeS4 tetrahedra and corners with seven equivalent AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.55–2.61 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent GeS4 tetrahedra and corners with ten equivalent AgS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SAg2Ge2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SAg3Ge tetrahedra.},

  doi          = {10.17188/1316949},

  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/10.17188/1316949

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