Materials Data on Cs2S5 by Materials Project

doi:10.17188/1746490

Title: Materials Data on Cs2S5 by Materials Project

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Abstract

Cs2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.58–4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.52–4.13 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 7-coordinate geometry to six Cs1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the second S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Cs1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to four Cs1+ andmore » two S+0.40- atoms.« less

Authors:: The Materials Project

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

Other Number(s):: mp-1193140

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; Cs2S5; Cs-S

OSTI Identifier:: 1746490

DOI:: https://doi.org/10.17188/1746490

Citation Formats


                    The Materials Project. Materials Data on Cs2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746490.

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                    The Materials Project. Materials Data on Cs2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746490

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                    The Materials Project. 2020.  
"Materials Data on Cs2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746490.  https://www.osti.gov/servlets/purl/1746490. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1746490,

  title        = {Materials Data on Cs2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.58–4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.52–4.13 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 7-coordinate geometry to six Cs1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the second S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Cs1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to four Cs1+ and two S+0.40- atoms.},

  doi          = {10.17188/1746490},

  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/10.17188/1746490

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