U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H2CSO4 by Materials Project
Abstract
CH2SO4 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of two CH2SO4 ribbons oriented in the (0, 0, 1) direction. C4+ is bonded to two equivalent H1+ and two equivalent O2- atoms to form CH2O2 tetrahedra that share corners with two equivalent SO4 tetrahedra. Both C–H bond lengths are 1.10 Å. Both C–O bond lengths are 1.44 Å. H1+ is bonded in a single-bond geometry to one C4+ atom. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent CH2O2 tetrahedra. There is two shorter (1.42 Å) and two longer (1.61 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.
- Publication Date:
- Other Number(s):
- mp-995221
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-H-O-S; H2CSO4; crystal structure
- OSTI Identifier:
- 1317039
- DOI:
- https://doi.org/10.17188/1317039
Citation Formats
Materials Data on H2CSO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317039.
Materials Data on H2CSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1317039
2020.
"Materials Data on H2CSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1317039. https://www.osti.gov/servlets/purl/1317039. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317039,
title = {Materials Data on H2CSO4 by Materials Project},
abstractNote = {CH2SO4 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of two CH2SO4 ribbons oriented in the (0, 0, 1) direction. C4+ is bonded to two equivalent H1+ and two equivalent O2- atoms to form CH2O2 tetrahedra that share corners with two equivalent SO4 tetrahedra. Both C–H bond lengths are 1.10 Å. Both C–O bond lengths are 1.44 Å. H1+ is bonded in a single-bond geometry to one C4+ atom. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent CH2O2 tetrahedra. There is two shorter (1.42 Å) and two longer (1.61 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2+ atom.},
doi = {10.17188/1317039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}