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Title: Materials Data on Co6Ge2(CO)19 by Materials Project

Abstract

Co2(CO)5(Co(CO)4)2(Co(CO)3)2(Ge)2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of sixteen akos016035116 molecules, sixteen germanium molecules, sixteen Co(CO)4 clusters, and eight Co2(CO)5 clusters. In each Co(CO)4 cluster, Co2+ is bonded in a trigonal pyramidal geometry to four C+0.95+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. There are four inequivalent C+0.95+ sites. In the first C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ 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+0.95+ atom. In the second O2- site, O2- is bonded in amore » single-bond geometry to one C+0.95+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In each Co2(CO)5 cluster, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted water-like geometry to three C+0.95+ atoms. There is two shorter (1.77 Å) and one longer (1.92 Å) Co–C bond length. In the second Co2+ site, Co2+ is bonded in a 3-coordinate geometry to three C+0.95+ atoms. There is two shorter (1.77 Å) and one longer (1.89 Å) Co–C bond length. There are three inequivalent C+0.95+ sites. In the first C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.95+ site, C+0.95+ is bonded in a distorted single-bond geometry to two Co2+ and one O2- atom. The C–O bond length is 1.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-650858
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; Co6Ge2(CO)19; C-Co-Ge-O
OSTI Identifier:
1281004
DOI:
https://doi.org/10.17188/1281004

Citation Formats

The Materials Project. Materials Data on Co6Ge2(CO)19 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1281004.
The Materials Project. Materials Data on Co6Ge2(CO)19 by Materials Project. United States. doi:https://doi.org/10.17188/1281004
The Materials Project. 2019. "Materials Data on Co6Ge2(CO)19 by Materials Project". United States. doi:https://doi.org/10.17188/1281004. https://www.osti.gov/servlets/purl/1281004. Pub date:Sat Nov 16 00:00:00 EST 2019
@article{osti_1281004,
title = {Materials Data on Co6Ge2(CO)19 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2(CO)5(Co(CO)4)2(Co(CO)3)2(Ge)2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of sixteen akos016035116 molecules, sixteen germanium molecules, sixteen Co(CO)4 clusters, and eight Co2(CO)5 clusters. In each Co(CO)4 cluster, Co2+ is bonded in a trigonal pyramidal geometry to four C+0.95+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. There are four inequivalent C+0.95+ sites. In the first C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ 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+0.95+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In each Co2(CO)5 cluster, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted water-like geometry to three C+0.95+ atoms. There is two shorter (1.77 Å) and one longer (1.92 Å) Co–C bond length. In the second Co2+ site, Co2+ is bonded in a 3-coordinate geometry to three C+0.95+ atoms. There is two shorter (1.77 Å) and one longer (1.89 Å) Co–C bond length. There are three inequivalent C+0.95+ sites. In the first C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+0.95+ site, C+0.95+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.95+ site, C+0.95+ is bonded in a distorted single-bond geometry to two Co2+ and one O2- atom. The C–O bond length is 1.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.95+ atom.},
doi = {10.17188/1281004},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Nov 16 00:00:00 EST 2019},
month = {Sat Nov 16 00:00:00 EST 2019}
}