Materials Data on KAg2SbS4 by Materials Project

doi:10.17188/1313279

Title: Materials Data on KAg2SbS4 by Materials Project

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Abstract

KAg2SbS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.20 Å) and four longer (3.76 Å) K–S bond lengths. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent SbS4 tetrahedra and corners with four equivalent AgS4 trigonal pyramids. All Ag–S bond lengths are 2.62 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with eight equivalent AgS4 trigonal pyramids. All Sb–S bond lengths are 2.38 Å. S2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Ag1+, and one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-9490

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; KAg2SbS4; Ag-K-S-Sb

OSTI Identifier:: 1313279

DOI:: https://doi.org/10.17188/1313279

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                    The Materials Project. Materials Data on KAg2SbS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313279.

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                    The Materials Project. Materials Data on KAg2SbS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313279

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                    The Materials Project. 2020.  
"Materials Data on KAg2SbS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313279.  https://www.osti.gov/servlets/purl/1313279. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1313279,

  title        = {Materials Data on KAg2SbS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAg2SbS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.20 Å) and four longer (3.76 Å) K–S bond lengths. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent SbS4 tetrahedra and corners with four equivalent AgS4 trigonal pyramids. All Ag–S bond lengths are 2.62 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with eight equivalent AgS4 trigonal pyramids. All Sb–S bond lengths are 2.38 Å. S2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Ag1+, and one Sb5+ atom.},

  doi          = {10.17188/1313279},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313279

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