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Title: Materials Data on RbAu(SeO4)2 by Materials Project

Abstract

RbAu(SeO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.41 Å. Au5+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.03 Å. Se5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.75 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Se5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Se5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Au5+, and one Se5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557122
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; RbAu(SeO4)2; Au-O-Rb-Se
OSTI Identifier:
1269707
DOI:
10.17188/1269707

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbAu(SeO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269707.
Persson, Kristin, & Project, Materials. Materials Data on RbAu(SeO4)2 by Materials Project. United States. doi:10.17188/1269707.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbAu(SeO4)2 by Materials Project". United States. doi:10.17188/1269707. https://www.osti.gov/servlets/purl/1269707. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269707,
title = {Materials Data on RbAu(SeO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbAu(SeO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.41 Å. Au5+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.03 Å. Se5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.75 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Se5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one Se5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Au5+, and one Se5+ atom.},
doi = {10.17188/1269707},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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