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Title: Materials Data on RbSO3F by Materials Project

Abstract

RbSO3F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent F1- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.17 Å. There are one shorter (3.11 Å) and two longer (3.41 Å) Rb–F bond lengths. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S6+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom.

Publication Date:
Other Number(s):
mp-1219578
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; RbSO3F; F-O-Rb-S
OSTI Identifier:
1655599
DOI:
https://doi.org/10.17188/1655599

Citation Formats

The Materials Project. Materials Data on RbSO3F by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655599.
The Materials Project. Materials Data on RbSO3F by Materials Project. United States. doi:https://doi.org/10.17188/1655599
The Materials Project. 2019. "Materials Data on RbSO3F by Materials Project". United States. doi:https://doi.org/10.17188/1655599. https://www.osti.gov/servlets/purl/1655599. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655599,
title = {Materials Data on RbSO3F by Materials Project},
author = {The Materials Project},
abstractNote = {RbSO3F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent F1- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.17 Å. There are one shorter (3.11 Å) and two longer (3.41 Å) Rb–F bond lengths. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one S6+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom.},
doi = {10.17188/1655599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}