Materials Data on Cs2S by Materials Project

doi:10.17188/1264736

Title: Materials Data on Cs2S by Materials Project

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Abstract

Cs2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are one shorter (3.51 Å) and two longer (3.68 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CsS4 tetrahedra. There are a spread of Cs–S bond distances ranging from 3.47–3.56 Å. S2- is bonded in a 9-coordinate geometry to seven Cs1+ atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-540703

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Cs-S; Cs2S

OSTI Identifier:: 1264736

DOI:: https://doi.org/10.17188/1264736

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                    Materials Data on Cs2S by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264736.

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                    Materials Data on Cs2S by Materials Project.  United States.  doi:https://doi.org/10.17188/1264736

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                    2020.  
"Materials Data on Cs2S by Materials Project".  United States.  doi:https://doi.org/10.17188/1264736.  https://www.osti.gov/servlets/purl/1264736. Pub date:Tue Jul 14 20:00:00 EDT 2020

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@article{osti_1264736,

  title        = {Materials Data on Cs2S by Materials Project},

  
  abstractNote = {Cs2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are one shorter (3.51 Å) and two longer (3.68 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CsS4 tetrahedra. There are a spread of Cs–S bond distances ranging from 3.47–3.56 Å. S2- is bonded in a 9-coordinate geometry to seven Cs1+ atoms.},

  doi          = {10.17188/1264736},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1264736

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