Materials Data on KAgTeS3 by Materials Project

doi:10.17188/1687637

Title: Materials Data on KAgTeS3 by Materials Project

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Abstract

KAgTeS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing KS7 pentagonal bipyramids. There are a spread of K–S bond distances ranging from 3.24–3.66 Å. Ag1+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.70 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Te–S bond distances ranging from 2.38–2.40 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Ag1+, and one Te4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Ag1+, and one Te4+ atom. In the third S2- site, S2- is bonded to three equivalent K1+, one Ag1+, and one Te4+ atom to form a mixture of distorted corner and edge-sharing SK3AgTe trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1211732

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; KAgTeS3; Ag-K-S-Te

OSTI Identifier:: 1687637

DOI:: https://doi.org/10.17188/1687637

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                    The Materials Project. Materials Data on KAgTeS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687637.

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                    The Materials Project. Materials Data on KAgTeS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687637

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                    The Materials Project. 2020.  
"Materials Data on KAgTeS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687637.  https://www.osti.gov/servlets/purl/1687637. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1687637,

  title        = {Materials Data on KAgTeS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAgTeS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded to seven S2- atoms to form a mixture of distorted corner and edge-sharing KS7 pentagonal bipyramids. There are a spread of K–S bond distances ranging from 3.24–3.66 Å. Ag1+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.70 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Te–S bond distances ranging from 2.38–2.40 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Ag1+, and one Te4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Ag1+, and one Te4+ atom. In the third S2- site, S2- is bonded to three equivalent K1+, one Ag1+, and one Te4+ atom to form a mixture of distorted corner and edge-sharing SK3AgTe trigonal bipyramids.},

  doi          = {10.17188/1687637},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1687637

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