Materials Data on Cs2Ti(AgS2)2 by Materials Project

doi:10.17188/1187154

Title: Materials Data on Cs2Ti(AgS2)2 by Materials Project

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Abstract

Cs2Ti(AgS2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are four shorter (3.62 Å) and four longer (3.84 Å) Cs–S bond lengths. Ti4+ is bonded to four equivalent S2- atoms to form TiS4 tetrahedra that share edges with four equivalent AgS4 tetrahedra. All Ti–S bond lengths are 2.31 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and edges with two equivalent TiS4 tetrahedra. All Ag–S bond lengths are 2.59 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Ti4+, and two equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10488

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; Cs2Ti(AgS2)2; Ag-Cs-S-Ti

OSTI Identifier:: 1187154

DOI:: https://doi.org/10.17188/1187154

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                    The Materials Project. Materials Data on Cs2Ti(AgS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187154.

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                    The Materials Project. Materials Data on Cs2Ti(AgS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187154

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                    The Materials Project. 2020.  
"Materials Data on Cs2Ti(AgS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187154.  https://www.osti.gov/servlets/purl/1187154. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187154,

  title        = {Materials Data on Cs2Ti(AgS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2Ti(AgS2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are four shorter (3.62 Å) and four longer (3.84 Å) Cs–S bond lengths. Ti4+ is bonded to four equivalent S2- atoms to form TiS4 tetrahedra that share edges with four equivalent AgS4 tetrahedra. All Ti–S bond lengths are 2.31 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and edges with two equivalent TiS4 tetrahedra. All Ag–S bond lengths are 2.59 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Ti4+, and two equivalent Ag1+ atoms.},

  doi          = {10.17188/1187154},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187154

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