Materials Data on InAgS2 by Materials Project

doi:10.17188/1282943

Title: Materials Data on InAgS2 by Materials Project

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Abstract

AgInS2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ag1+ is bonded to five S2- atoms to form AgS5 trigonal bipyramids that share corners with eight equivalent AgS5 trigonal bipyramids and edges with six equivalent InS5 trigonal bipyramids. There are a spread of Ag–S bond distances ranging from 2.63–2.71 Å. In3+ is bonded to five S2- atoms to form InS5 trigonal bipyramids that share corners with eight equivalent InS5 trigonal bipyramids and edges with six equivalent AgS5 trigonal bipyramids. There are a spread of In–S bond distances ranging from 2.63–2.73 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ag1+ and two equivalent In3+ atoms to form SIn2Ag3 trigonal bipyramids that share corners with eight equivalent SIn2Ag3 trigonal bipyramids and edges with six equivalent SIn3Ag2 trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent Ag1+ and three equivalent In3+ atoms to form SIn3Ag2 trigonal bipyramids that share corners with eight equivalent SIn3Ag2 trigonal bipyramids and edges with six equivalent SIn2Ag3 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-676113

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; InAgS2; Ag-In-S

OSTI Identifier:: 1282943

DOI:: https://doi.org/10.17188/1282943

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                    The Materials Project. Materials Data on InAgS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282943.

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                    The Materials Project. Materials Data on InAgS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282943

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                    The Materials Project. 2020.  
"Materials Data on InAgS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282943.  https://www.osti.gov/servlets/purl/1282943. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1282943,

  title        = {Materials Data on InAgS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgInS2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ag1+ is bonded to five S2- atoms to form AgS5 trigonal bipyramids that share corners with eight equivalent AgS5 trigonal bipyramids and edges with six equivalent InS5 trigonal bipyramids. There are a spread of Ag–S bond distances ranging from 2.63–2.71 Å. In3+ is bonded to five S2- atoms to form InS5 trigonal bipyramids that share corners with eight equivalent InS5 trigonal bipyramids and edges with six equivalent AgS5 trigonal bipyramids. There are a spread of In–S bond distances ranging from 2.63–2.73 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Ag1+ and two equivalent In3+ atoms to form SIn2Ag3 trigonal bipyramids that share corners with eight equivalent SIn2Ag3 trigonal bipyramids and edges with six equivalent SIn3Ag2 trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent Ag1+ and three equivalent In3+ atoms to form SIn3Ag2 trigonal bipyramids that share corners with eight equivalent SIn3Ag2 trigonal bipyramids and edges with six equivalent SIn2Ag3 trigonal bipyramids.},

  doi          = {10.17188/1282943},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282943

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Materials Data on InAgS2 by Materials Project

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