U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsHSO4 by Materials Project
Abstract
CsHSO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.14–3.50 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+, one H1+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-557752
- 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; Cs-H-O-S; CsHSO4; crystal structure
- OSTI Identifier:
- 1269990
- DOI:
- https://doi.org/10.17188/1269990
Citation Formats
Materials Data on CsHSO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269990.
Materials Data on CsHSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1269990
2020.
"Materials Data on CsHSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1269990. https://www.osti.gov/servlets/purl/1269990. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1269990,
title = {Materials Data on CsHSO4 by Materials Project},
abstractNote = {CsHSO4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.14–3.50 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+, one H1+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom.},
doi = {10.17188/1269990},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}