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Title: Materials Data on RbReSO3 by Materials Project

Abstract

RbReSO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to three equivalent S2- and seven O2- atoms. There are a spread of Rb–S bond distances ranging from 3.68–3.83 Å. There are a spread of Rb–O bond distances ranging from 2.96–3.43 Å. Re7+ is bonded in a tetrahedral geometry to one S2- and three O2- atoms. The Re–S bond length is 2.16 Å. There is one shorter (1.75 Å) and two longer (1.76 Å) Re–O bond length. S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. 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 Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re7+ atom.

Publication Date:
Other Number(s):
mp-559212
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; RbReSO3; O-Rb-Re-S
OSTI Identifier:
1270725
DOI:
https://doi.org/10.17188/1270725

Citation Formats

The Materials Project. Materials Data on RbReSO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270725.
The Materials Project. Materials Data on RbReSO3 by Materials Project. United States. doi:https://doi.org/10.17188/1270725
The Materials Project. 2020. "Materials Data on RbReSO3 by Materials Project". United States. doi:https://doi.org/10.17188/1270725. https://www.osti.gov/servlets/purl/1270725. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270725,
title = {Materials Data on RbReSO3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbReSO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to three equivalent S2- and seven O2- atoms. There are a spread of Rb–S bond distances ranging from 3.68–3.83 Å. There are a spread of Rb–O bond distances ranging from 2.96–3.43 Å. Re7+ is bonded in a tetrahedral geometry to one S2- and three O2- atoms. The Re–S bond length is 2.16 Å. There is one shorter (1.75 Å) and two longer (1.76 Å) Re–O bond length. S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. 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 Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re7+ atom.},
doi = {10.17188/1270725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}