U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb4Te2S8O15 by Materials Project
Abstract
Rb4S4O15(Te)2(S)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of sixteen hydrogen sulfide molecules, eight tellurium molecules, and one Rb4S4O15 framework. In the Rb4S4O15 framework, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.23 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.38 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry tomore »
- Publication Date:
- Other Number(s):
- mp-867999
- 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; O-Rb-S-Te; Rb4Te2S8O15; crystal structure
- OSTI Identifier:
- 1312323
- DOI:
- https://doi.org/10.17188/1312323
Citation Formats
Materials Data on Rb4Te2S8O15 by Materials Project. United States: N. p., 2015.
Web. doi:10.17188/1312323.
Materials Data on Rb4Te2S8O15 by Materials Project. United States. doi:https://doi.org/10.17188/1312323
2015.
"Materials Data on Rb4Te2S8O15 by Materials Project". United States. doi:https://doi.org/10.17188/1312323. https://www.osti.gov/servlets/purl/1312323. Pub date:Tue Sep 15 04:00:00 UTC 2015
@article{osti_1312323,
title = {Materials Data on Rb4Te2S8O15 by Materials Project},
abstractNote = {Rb4S4O15(Te)2(S)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of sixteen hydrogen sulfide molecules, eight tellurium molecules, and one Rb4S4O15 framework. In the Rb4S4O15 framework, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.23 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.38 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two Rb1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Rb1+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one S2+ atom.},
doi = {10.17188/1312323},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2015},
month = {9}
}