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

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.

Publication Date:
Other Number(s):
mp-1202779
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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.
The Materials Project. Materials Data on RbH12AuC4(SO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1745189
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
@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}
}