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Title: Materials Data on Rb7Au5O2 by Materials Project

Abstract

Rb7Au5O2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to six Au+0.60- and one O2- atom. There are a spread of Rb–Au bond distances ranging from 3.56–3.93 Å. The Rb–O bond length is 2.82 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted linear geometry to four Au+0.60- and two equivalent O2- atoms. There are two shorter (3.76 Å) and two longer (3.84 Å) Rb–Au bond lengths. Both Rb–O bond lengths are 2.91 Å. In the third Rb1+ site, Rb1+ is bonded in a linear geometry to four equivalent Au+0.60- and two equivalent O2- atoms. All Rb–Au bond lengths are 3.88 Å. Both Rb–O bond lengths are 2.70 Å. There are three inequivalent Au+0.60- sites. In the first Au+0.60- site, Au+0.60- is bonded in a distorted q6 geometry to ten Rb1+ atoms. In the second Au+0.60- site, Au+0.60- is bonded in a distorted body-centered cubic geometry to eight Rb1+ atoms. In the third Au+0.60- site, Au+0.60- is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. O2-more » is bonded to five Rb1+ and one Au+0.60- atom to form corner-sharing ORb5Au octahedra. The corner-sharing octahedra tilt angles range from 0–2°.« less

Publication Date:
Other Number(s):
mp-510076
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; Rb7Au5O2; Au-O-Rb
OSTI Identifier:
1262828
DOI:
https://doi.org/10.17188/1262828

Citation Formats

The Materials Project. Materials Data on Rb7Au5O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262828.
The Materials Project. Materials Data on Rb7Au5O2 by Materials Project. United States. doi:https://doi.org/10.17188/1262828
The Materials Project. 2020. "Materials Data on Rb7Au5O2 by Materials Project". United States. doi:https://doi.org/10.17188/1262828. https://www.osti.gov/servlets/purl/1262828. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262828,
title = {Materials Data on Rb7Au5O2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb7Au5O2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to six Au+0.60- and one O2- atom. There are a spread of Rb–Au bond distances ranging from 3.56–3.93 Å. The Rb–O bond length is 2.82 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted linear geometry to four Au+0.60- and two equivalent O2- atoms. There are two shorter (3.76 Å) and two longer (3.84 Å) Rb–Au bond lengths. Both Rb–O bond lengths are 2.91 Å. In the third Rb1+ site, Rb1+ is bonded in a linear geometry to four equivalent Au+0.60- and two equivalent O2- atoms. All Rb–Au bond lengths are 3.88 Å. Both Rb–O bond lengths are 2.70 Å. There are three inequivalent Au+0.60- sites. In the first Au+0.60- site, Au+0.60- is bonded in a distorted q6 geometry to ten Rb1+ atoms. In the second Au+0.60- site, Au+0.60- is bonded in a distorted body-centered cubic geometry to eight Rb1+ atoms. In the third Au+0.60- site, Au+0.60- is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. O2- is bonded to five Rb1+ and one Au+0.60- atom to form corner-sharing ORb5Au octahedra. The corner-sharing octahedra tilt angles range from 0–2°.},
doi = {10.17188/1262828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}