Materials Data on Ag3AsS4 by Materials Project

doi:10.17188/1313317

Title: Materials Data on Ag3AsS4 by Materials Project

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Abstract

Ag3AsS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.57–2.60 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.54–2.59 Å. As5+ is bonded to four S2- atoms to form AsS4 tetrahedra that share corners with twelve AgS4 tetrahedra. There are a spread of As–S bond distances ranging from 2.22–2.24 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the second S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the third S2- site, S2- is bonded to three Ag1+ and one As5+ atom to formmore » corner-sharing SAg3As tetrahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-9538

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; Ag3AsS4; Ag-As-S

OSTI Identifier:: 1313317

DOI:: https://doi.org/10.17188/1313317

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                    The Materials Project. Materials Data on Ag3AsS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313317.

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                    The Materials Project. Materials Data on Ag3AsS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313317

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                    The Materials Project. 2020.  
"Materials Data on Ag3AsS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313317.  https://www.osti.gov/servlets/purl/1313317. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1313317,

  title        = {Materials Data on Ag3AsS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3AsS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.57–2.60 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.54–2.59 Å. As5+ is bonded to four S2- atoms to form AsS4 tetrahedra that share corners with twelve AgS4 tetrahedra. There are a spread of As–S bond distances ranging from 2.22–2.24 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the second S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the third S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra.},

  doi          = {10.17188/1313317},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1313317

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