Materials Data on RbSb3S5O by Materials Project

doi:10.17188/1664083

Title: Materials Data on RbSb3S5O by Materials Project

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Abstract

RbSb3S5O crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to five S2- and two equivalent O2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.76 Å. There are one shorter (2.86 Å) and one longer (3.24 Å) Rb–O bond lengths. There are three inequivalent Sb+3.67+ sites. In the first Sb+3.67+ site, Sb+3.67+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–2.77 Å. In the second Sb+3.67+ site, Sb+3.67+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.43–3.19 Å. In the third Sb+3.67+ site, Sb+3.67+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.88 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+ and three Sb+3.67+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Sb+3.67+ atoms. In the third S2- site, S2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-1105975

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; RbSb3S5O; O-Rb-S-Sb

OSTI Identifier:: 1664083

DOI:: https://doi.org/10.17188/1664083

Citation Formats


                    The Materials Project. Materials Data on RbSb3S5O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664083.

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                    The Materials Project. Materials Data on RbSb3S5O by Materials Project.  United States.  doi:https://doi.org/10.17188/1664083

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                    The Materials Project. 2020.  
"Materials Data on RbSb3S5O by Materials Project".  United States.  doi:https://doi.org/10.17188/1664083.  https://www.osti.gov/servlets/purl/1664083. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1664083,

  title        = {Materials Data on RbSb3S5O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbSb3S5O crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to five S2- and two equivalent O2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.76 Å. There are one shorter (2.86 Å) and one longer (3.24 Å) Rb–O bond lengths. There are three inequivalent Sb+3.67+ sites. In the first Sb+3.67+ site, Sb+3.67+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–2.77 Å. In the second Sb+3.67+ site, Sb+3.67+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.43–3.19 Å. In the third Sb+3.67+ site, Sb+3.67+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.88 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Rb1+ and three Sb+3.67+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Sb+3.67+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to three Sb+3.67+ atoms. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to one Rb1+, two Sb+3.67+, and one O2- atom. The S–O bond length is 1.54 Å. In the fifth S2- site, S2- is bonded to two equivalent Rb1+ and two Sb+3.67+ atoms to form distorted corner-sharing SRb2Sb2 trigonal pyramids. O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one S2- atom.},

  doi          = {10.17188/1664083},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1664083

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