U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2CoCl4 by Materials Project
Abstract
Rb2CoCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.75 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.84 Å. Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Co–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Co2+ atom.
- Publication Date:
- Other Number(s):
- mp-23076
- 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; Cl-Co-Rb; Rb2CoCl4; crystal structure
- OSTI Identifier:
- 1199217
- DOI:
- https://doi.org/10.17188/1199217
Citation Formats
Materials Data on Rb2CoCl4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199217.
Materials Data on Rb2CoCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1199217
2020.
"Materials Data on Rb2CoCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1199217. https://www.osti.gov/servlets/purl/1199217. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1199217,
title = {Materials Data on Rb2CoCl4 by Materials Project},
abstractNote = {Rb2CoCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.75 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.84 Å. Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Co–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Co2+ atom.},
doi = {10.17188/1199217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}