Materials Data on K2Ag2SnSe4 by Materials Project

doi:10.17188/1275987

Title: Materials Data on K2Ag2SnSe4 by Materials Project

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Abstract

K2Ag2SnSe4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.50–3.72 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.40–3.70 Å. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.66–2.94 Å. Sn4+ is bonded in a tetrahedral geometry to four Se2- atoms. All Sn–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to four K1+, two equivalent Ag1+, and one Sn4+ atom. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to four K1+, two equivalent Ag1+, and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-570887

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; K2Ag2SnSe4; Ag-K-Se-Sn

OSTI Identifier:: 1275987

DOI:: https://doi.org/10.17188/1275987

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                    The Materials Project. Materials Data on K2Ag2SnSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275987.

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                    The Materials Project. Materials Data on K2Ag2SnSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275987

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                    The Materials Project. 2020.  
"Materials Data on K2Ag2SnSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275987.  https://www.osti.gov/servlets/purl/1275987. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1275987,

  title        = {Materials Data on K2Ag2SnSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Ag2SnSe4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.50–3.72 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.40–3.70 Å. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.66–2.94 Å. Sn4+ is bonded in a tetrahedral geometry to four Se2- atoms. All Sn–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to four K1+, two equivalent Ag1+, and one Sn4+ atom. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to four K1+, two equivalent Ag1+, and one Sn4+ atom.},

  doi          = {10.17188/1275987},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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