Materials Data on CsH24Rh(SO10)2 by Materials Project

doi:10.17188/1286347

Title: Materials Data on CsH24Rh(SO10)2 by Materials Project

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Abstract

CsRhH24(SO10)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted cuboctahedral geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.27 Å. Rh3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Rh–O bond lengths are 2.05 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are four inequivalentmore »« less

Authors:: The Materials Project

Publication Date:: Mon Jan 05 00:00:00 EST 2015

Other Number(s):: mp-707209

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; CsH24Rh(SO10)2; Cs-H-O-Rh-S

OSTI Identifier:: 1286347

DOI:: https://doi.org/10.17188/1286347

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                    The Materials Project. Materials Data on CsH24Rh(SO10)2 by Materials Project.  United States: N. p., 2015. 
        Web.  doi:10.17188/1286347.

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                    The Materials Project. Materials Data on CsH24Rh(SO10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286347

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                    The Materials Project. 2015.  
"Materials Data on CsH24Rh(SO10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286347.  https://www.osti.gov/servlets/purl/1286347. Pub date:Mon Jan 05 00:00:00 EST 2015

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@article{osti_1286347,

  title        = {Materials Data on CsH24Rh(SO10)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsRhH24(SO10)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted cuboctahedral geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.27 Å. Rh3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Rh–O bond lengths are 2.05 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Rh3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+ and three H1+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two H1+ and one S6+ atom.},

  doi          = {10.17188/1286347},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jan 05 00:00:00 EST 2015},

  month        = {Mon Jan 05 00:00:00 EST 2015}

}

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DOI: https://doi.org/10.17188/1286347

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