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Title: Materials Data on RbAu(SO4)2 by Materials Project

Abstract

RbAu(SO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent SO4 tetrahedra, edges with four equivalent RbO12 cuboctahedra, edges with four equivalent SO4 tetrahedra, and faces with two equivalent RbO12 cuboctahedra. There are a spread of Rb–O bond distances ranging from 3.10–3.36 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.04 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent RbO12 cuboctahedra and edges with two equivalent RbO12 cuboctahedra. There are a spread of S–O bond distances ranging from 1.45–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry tomore » one Rb1+, one Au3+, and one S6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-555741
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; RbAu(SO4)2; Au-O-Rb-S
OSTI Identifier:
1268961
DOI:
https://doi.org/10.17188/1268961

Citation Formats

The Materials Project. Materials Data on RbAu(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268961.
The Materials Project. Materials Data on RbAu(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1268961
The Materials Project. 2020. "Materials Data on RbAu(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1268961. https://www.osti.gov/servlets/purl/1268961. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268961,
title = {Materials Data on RbAu(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAu(SO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent SO4 tetrahedra, edges with four equivalent RbO12 cuboctahedra, edges with four equivalent SO4 tetrahedra, and faces with two equivalent RbO12 cuboctahedra. There are a spread of Rb–O bond distances ranging from 3.10–3.36 Å. Au3+ is bonded in a square co-planar geometry to four O2- atoms. All Au–O bond lengths are 2.04 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent RbO12 cuboctahedra and edges with two equivalent RbO12 cuboctahedra. There are a spread of S–O bond distances ranging from 1.45–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Au3+, and one S6+ atom.},
doi = {10.17188/1268961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}