Materials Data on Os3(CO)10 by Materials Project
Abstract
Os3(CO)10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Os(CO)3 clusters and two Os(CO)4 clusters. In two of the Os(CO)3 clusters, Os+1.33- is bonded in a 3-coordinate geometry to three C+2.40+ atoms. There are a spread of Os–C bond distances ranging from 1.87–1.93 Å. There are three inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.33- 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+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In two of the Os(CO)3 clusters, Os+1.33- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199357
- 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; Os3(CO)10; C-O-Os
- OSTI Identifier:
- 1698556
- DOI:
- https://doi.org/10.17188/1698556
Citation Formats
The Materials Project. Materials Data on Os3(CO)10 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698556.
The Materials Project. Materials Data on Os3(CO)10 by Materials Project. United States. doi:https://doi.org/10.17188/1698556
The Materials Project. 2019.
"Materials Data on Os3(CO)10 by Materials Project". United States. doi:https://doi.org/10.17188/1698556. https://www.osti.gov/servlets/purl/1698556. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1698556,
title = {Materials Data on Os3(CO)10 by Materials Project},
author = {The Materials Project},
abstractNote = {Os3(CO)10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Os(CO)3 clusters and two Os(CO)4 clusters. In two of the Os(CO)3 clusters, Os+1.33- is bonded in a 3-coordinate geometry to three C+2.40+ atoms. There are a spread of Os–C bond distances ranging from 1.87–1.93 Å. There are three inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.33- 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+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In two of the Os(CO)3 clusters, Os+1.33- is bonded in a 3-coordinate geometry to three C+2.40+ atoms. There are a spread of Os–C bond distances ranging from 1.87–1.92 Å. There are three inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.17 Å. In the third C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In each Os(CO)4 cluster, Os+1.33- is bonded in a distorted see-saw-like geometry to four C+2.40+ atoms. There is two shorter (1.92 Å) and two longer (1.95 Å) Os–C bond length. There are four inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.33- and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom.},
doi = {10.17188/1698556},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}