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Title: Materials Data on H2SO4 by Materials Project

Abstract

H2SO4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two H2SO4 sheets oriented in the (0, 0, 1) direction. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.44 Å) and two longer (1.56 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom.

Publication Date:
Other Number(s):
mp-625475
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; H2SO4; H-O-S
OSTI Identifier:
1278394
DOI:
https://doi.org/10.17188/1278394

Citation Formats

The Materials Project. Materials Data on H2SO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278394.
The Materials Project. Materials Data on H2SO4 by Materials Project. United States. doi:https://doi.org/10.17188/1278394
The Materials Project. 2020. "Materials Data on H2SO4 by Materials Project". United States. doi:https://doi.org/10.17188/1278394. https://www.osti.gov/servlets/purl/1278394. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1278394,
title = {Materials Data on H2SO4 by Materials Project},
author = {The Materials Project},
abstractNote = {H2SO4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two H2SO4 sheets oriented in the (0, 0, 1) direction. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.44 Å) and two longer (1.56 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom.},
doi = {10.17188/1278394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}