Materials Data on Os5(CO)16 by Materials Project
Abstract
(Os(CO)3)4Os(CO)4 crystallizes in the trigonal P3_121 space group. The structure is zero-dimensional and consists of twelve Os(CO)3 clusters and three Os(CO)4 clusters. In each Os(CO)3 cluster, Os+1.60- is bonded in a distorted T-shaped geometry to three C+2.50+ atoms. There is one shorter (1.89 Å) and two longer (1.90 Å) Os–C bond length. There are three inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a linear geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.50+ site, C+2.50+ is bonded in a linear geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.50+ site, C+2.50+ is bonded in a linear geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom. In each Os(CO)4 cluster, Os+1.60- is bonded in a see-saw-likemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-680248
- 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; Os5(CO)16; C-O-Os
- OSTI Identifier:
- 1283567
- DOI:
- https://doi.org/10.17188/1283567
Citation Formats
The Materials Project. Materials Data on Os5(CO)16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283567.
The Materials Project. Materials Data on Os5(CO)16 by Materials Project. United States. doi:https://doi.org/10.17188/1283567
The Materials Project. 2020.
"Materials Data on Os5(CO)16 by Materials Project". United States. doi:https://doi.org/10.17188/1283567. https://www.osti.gov/servlets/purl/1283567. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1283567,
title = {Materials Data on Os5(CO)16 by Materials Project},
author = {The Materials Project},
abstractNote = {(Os(CO)3)4Os(CO)4 crystallizes in the trigonal P3_121 space group. The structure is zero-dimensional and consists of twelve Os(CO)3 clusters and three Os(CO)4 clusters. In each Os(CO)3 cluster, Os+1.60- is bonded in a distorted T-shaped geometry to three C+2.50+ atoms. There is one shorter (1.89 Å) and two longer (1.90 Å) Os–C bond length. There are three inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a linear geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.50+ site, C+2.50+ is bonded in a linear geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.50+ site, C+2.50+ is bonded in a linear geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom. In each Os(CO)4 cluster, Os+1.60- is bonded in a see-saw-like geometry to four C+2.50+ atoms. There is two shorter (1.94 Å) and two longer (1.98 Å) Os–C bond length. There are two inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a distorted single-bond geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.50+ site, C+2.50+ is bonded in a distorted linear geometry to one Os+1.60- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.50+ atom.},
doi = {10.17188/1283567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}