Materials Data on Rb2S5 by Materials Project

doi:10.17188/1192232

Title: Materials Data on Rb2S5 by Materials Project

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Abstract

Rb2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.45–3.80 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.42–4.00 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the second S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four Rb1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the third S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Rb1+ 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 3-coordinate geometry to one Rb1+ andmore » two S+0.40- atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-16911

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; Rb2S5; Rb-S

OSTI Identifier:: 1192232

DOI:: https://doi.org/10.17188/1192232

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                    The Materials Project. Materials Data on Rb2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192232.

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                    The Materials Project. Materials Data on Rb2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192232

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                    The Materials Project. 2020.  
"Materials Data on Rb2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192232.  https://www.osti.gov/servlets/purl/1192232. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1192232,

  title        = {Materials Data on Rb2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.45–3.80 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Rb–S bond distances ranging from 3.42–4.00 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the second S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four Rb1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the third S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Rb1+ 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 3-coordinate geometry to one Rb1+ and two S+0.40- atoms.},

  doi          = {10.17188/1192232},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192232

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