U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbCS(OF)3 by Materials Project
Abstract
RbCS(OF)3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one RbCS(OF)3 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Rb–O bond distances ranging from 2.90–3.50 Å. The Rb–F bond length is 3.21 Å. C4+ is bonded in a trigonal non-coplanar geometry to three F1- atoms. There are a spread of C–F bond distances ranging from 1.35–1.37 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-6858
- 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; RbCS(OF)3; C-F-O-Rb-S
- OSTI Identifier:
- 1284221
- DOI:
- https://doi.org/10.17188/1284221
Citation Formats
The Materials Project. Materials Data on RbCS(OF)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1284221.
The Materials Project. Materials Data on RbCS(OF)3 by Materials Project. United States. doi:https://doi.org/10.17188/1284221
The Materials Project. 2020.
"Materials Data on RbCS(OF)3 by Materials Project". United States. doi:https://doi.org/10.17188/1284221. https://www.osti.gov/servlets/purl/1284221. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1284221,
title = {Materials Data on RbCS(OF)3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCS(OF)3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one RbCS(OF)3 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Rb–O bond distances ranging from 2.90–3.50 Å. The Rb–F bond length is 3.21 Å. C4+ is bonded in a trigonal non-coplanar geometry to three F1- atoms. There are a spread of C–F bond distances ranging from 1.35–1.37 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one S4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Rb1+ and one C4+ atom.},
doi = {10.17188/1284221},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}