Materials Data on CuAg3S2 by Materials Project

doi:10.17188/1280487

Title: Materials Data on CuAg3S2 by Materials Project

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Abstract

Ag3CuS2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.59–3.21 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.21 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.19 Å. S2- is bonded in a 1-coordinate geometry to seven Ag1+ and one Cu1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-644883

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; CuAg3S2; Ag-Cu-S

OSTI Identifier:: 1280487

DOI:: https://doi.org/10.17188/1280487

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                    The Materials Project. Materials Data on CuAg3S2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280487.

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                    The Materials Project. Materials Data on CuAg3S2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280487

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                    The Materials Project. 2020.  
"Materials Data on CuAg3S2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280487.  https://www.osti.gov/servlets/purl/1280487. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1280487,

  title        = {Materials Data on CuAg3S2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3CuS2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.59–3.21 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.21 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.19 Å. S2- is bonded in a 1-coordinate geometry to seven Ag1+ and one Cu1+ atom.},

  doi          = {10.17188/1280487},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280487

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