U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb3H(SO4)2 by Materials Project
Abstract
Rb3H(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.18 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to two equivalent H1+ and ten O2- atoms. Both Rb–H bond lengths are 3.01 Å. There are a spread of Rb–O bond distances ranging from 2.90–3.25 Å. H1+ is bonded in a linear geometry to two equivalent Rb1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Rb1+, one H1+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S6+ atom. Inmore »
- Publication Date:
- Other Number(s):
- mp-23781
- 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; H-O-Rb-S; Rb3H(SO4)2; crystal structure
- OSTI Identifier:
- 1199725
- DOI:
- https://doi.org/10.17188/1199725
Citation Formats
Materials Data on Rb3H(SO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199725.
Materials Data on Rb3H(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199725
2020.
"Materials Data on Rb3H(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199725. https://www.osti.gov/servlets/purl/1199725. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1199725,
title = {Materials Data on Rb3H(SO4)2 by Materials Project},
abstractNote = {Rb3H(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.03–3.18 Å. In the second Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to two equivalent H1+ and ten O2- atoms. Both Rb–H bond lengths are 3.01 Å. There are a spread of Rb–O bond distances ranging from 2.90–3.25 Å. H1+ is bonded in a linear geometry to two equivalent Rb1+ and two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Rb1+, one H1+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one S6+ atom.},
doi = {10.17188/1199725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}