U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlCo(CO)4 by Materials Project
Abstract
CoTl(CO)4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Co1+ is bonded in a tetrahedral geometry to four C+1.50+ atoms. All Co–C bond lengths are 1.75 Å. Tl1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 3.18 Å. There are two inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tl1+ and one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18789
- 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; TlCo(CO)4; C-Co-O-Tl
- OSTI Identifier:
- 1193490
- DOI:
- https://doi.org/10.17188/1193490
Citation Formats
The Materials Project. Materials Data on TlCo(CO)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193490.
The Materials Project. Materials Data on TlCo(CO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1193490
The Materials Project. 2020.
"Materials Data on TlCo(CO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1193490. https://www.osti.gov/servlets/purl/1193490. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1193490,
title = {Materials Data on TlCo(CO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CoTl(CO)4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Co1+ is bonded in a tetrahedral geometry to four C+1.50+ atoms. All Co–C bond lengths are 1.75 Å. Tl1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Tl–O bond lengths are 3.18 Å. There are two inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Tl1+ and one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom.},
doi = {10.17188/1193490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}