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Title: Materials Data on InCo3(CO)12 by Materials Project

Abstract

In(Co(CO)4)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four indium molecules and twelve Co(CO)4 clusters. In each Co(CO)4 cluster, Co+1.67+ is bonded in a distorted trigonal pyramidal geometry to four C+1.33+ atoms. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. There are four inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a distorted single-bond geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ 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+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry tomore » one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom.« less

Publication Date:
Other Number(s):
mp-650140
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; InCo3(CO)12; C-Co-In-O
OSTI Identifier:
1280954
DOI:
https://doi.org/10.17188/1280954

Citation Formats

The Materials Project. Materials Data on InCo3(CO)12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280954.
The Materials Project. Materials Data on InCo3(CO)12 by Materials Project. United States. doi:https://doi.org/10.17188/1280954
The Materials Project. 2020. "Materials Data on InCo3(CO)12 by Materials Project". United States. doi:https://doi.org/10.17188/1280954. https://www.osti.gov/servlets/purl/1280954. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280954,
title = {Materials Data on InCo3(CO)12 by Materials Project},
author = {The Materials Project},
abstractNote = {In(Co(CO)4)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four indium molecules and twelve Co(CO)4 clusters. In each Co(CO)4 cluster, Co+1.67+ is bonded in a distorted trigonal pyramidal geometry to four C+1.33+ atoms. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. There are four inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.33+ site, C+1.33+ is bonded in a distorted single-bond geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C+1.33+ site, C+1.33+ is bonded in a distorted linear geometry to one Co+1.67+ 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+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom.},
doi = {10.17188/1280954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}