U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsHS2O7 by Materials Project
Abstract
CsHS2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.63 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.45–1.72 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.62 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190463
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CsHS2O7; Cs-H-O-S
- OSTI Identifier:
- 1653103
- DOI:
- https://doi.org/10.17188/1653103
Citation Formats
The Materials Project. Materials Data on CsHS2O7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1653103.
The Materials Project. Materials Data on CsHS2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1653103
The Materials Project. 2019.
"Materials Data on CsHS2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1653103. https://www.osti.gov/servlets/purl/1653103. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1653103,
title = {Materials Data on CsHS2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {CsHS2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.63 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.45–1.72 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.62 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one H1+, and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom.},
doi = {10.17188/1653103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}