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Title: Materials Data on RbH2SNO3 by Materials Project

Abstract

RbNH2SO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to one H1+ and seven O2- atoms. The Rb–H bond length is 3.09 Å. There are a spread of Rb–O bond distances ranging from 3.00–3.18 Å. N5+ is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one S2- atom. Both N–H bond lengths are 1.03 Å. The N–S bond length is 1.68 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N5+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N5+ atom. S2- is bonded in a tetrahedral geometry to one N5+ and three O2- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S2- atom. In the third O2- site, O2- is bondedmore » in a single-bond geometry to one Rb1+ and one S2- atom.« less

Publication Date:
Other Number(s):
mp-773491
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; RbH2SNO3; H-N-O-Rb-S
OSTI Identifier:
1301897
DOI:
10.17188/1301897

Citation Formats

The Materials Project. Materials Data on RbH2SNO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301897.
The Materials Project. Materials Data on RbH2SNO3 by Materials Project. United States. doi:10.17188/1301897.
The Materials Project. 2020. "Materials Data on RbH2SNO3 by Materials Project". United States. doi:10.17188/1301897. https://www.osti.gov/servlets/purl/1301897. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301897,
title = {Materials Data on RbH2SNO3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbNH2SO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to one H1+ and seven O2- atoms. The Rb–H bond length is 3.09 Å. There are a spread of Rb–O bond distances ranging from 3.00–3.18 Å. N5+ is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one S2- atom. Both N–H bond lengths are 1.03 Å. The N–S bond length is 1.68 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N5+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N5+ atom. S2- is bonded in a tetrahedral geometry to one N5+ and three O2- atoms. There is two shorter (1.47 Å) and one longer (1.48 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one S2- atom.},
doi = {10.17188/1301897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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