Materials Data on RbH12AuC4(SO3)4 by Materials Project

doi:10.17188/1745189

Title: Materials Data on RbH12AuC4(SO3)4 by Materials Project

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Abstract

RbAu(SO3)4(CH3)4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional and consists of eight methane molecules and one RbAu(SO3)4 framework. In the RbAu(SO3)4 framework, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.10 Å) and four longer (3.16 Å) Rb–O bond lengths. Au3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.05 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.45 Å) and one longer (1.57 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S2- atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1202779

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; RbH12AuC4(SO3)4; Au-C-H-O-Rb-S

OSTI Identifier:: 1745189

DOI:: https://doi.org/10.17188/1745189

Citation Formats


                    The Materials Project. Materials Data on RbH12AuC4(SO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745189.

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                    The Materials Project. Materials Data on RbH12AuC4(SO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745189

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                    The Materials Project. 2020.  
"Materials Data on RbH12AuC4(SO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745189.  https://www.osti.gov/servlets/purl/1745189. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1745189,

  title        = {Materials Data on RbH12AuC4(SO3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAu(SO3)4(CH3)4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional and consists of eight methane molecules and one RbAu(SO3)4 framework. In the RbAu(SO3)4 framework, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.10 Å) and four longer (3.16 Å) Rb–O bond lengths. Au3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.05 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.45 Å) and one longer (1.57 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Au3+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S2- atom.},

  doi          = {10.17188/1745189},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1745189

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