Materials Data on Tc(CO)5 by Materials Project
Tc(CO)5 is Cubic alpha N2-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight Tc(CO)5 clusters. Tc3- is bonded in a square pyramidal geometry to five C+2.60+ atoms. There are a spread of Tc–C bond distances ranging from 1.94–2.01 Å. There are five inequivalent C+2.60+ sites. In the first C+2.60+ site, C+2.60+ is bonded in a linear geometry to one Tc3- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.60+ site, C+2.60+ is bonded in a linear geometry to one Tc3- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.60+ site, C+2.60+ is bonded in a linear geometry to one Tc3- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.60+ site, C+2.60+ is bonded in a linear geometry to one Tc3- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.60+ site, C+2.60+ is bonded in a linear geometry to one Tc3- and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.60+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.60+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.60+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.60+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.60+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1283677
- Report Number(s):
- mp-680571
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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