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Title: Materials Data on Co4Pb(CO)16 by Materials Project

Abstract

Co4Pb(CO)16 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four Co4Pb(CO)16 clusters. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to one Pb2+ and four C+1.38+ atoms to form distorted corner-sharing CoPbC4 trigonal pyramids. The Co–Pb bond length is 2.80 Å. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. In the second Co2+ site, Co2+ is bonded to one Pb2+ and four C+1.38+ atoms to form distorted corner-sharing CoPbC4 trigonal pyramids. The Co–Pb bond length is 2.81 Å. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. Pb2+ is bonded in a tetrahedral geometry to four Co2+ atoms. There are eight inequivalent C+1.38+ sites. In the first C+1.38+ site, C+1.38+ 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+1.38+ site, C+1.38+ 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+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16more » Å. In the fourth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.15 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-653887
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; Co4Pb(CO)16; C-Co-O-Pb
OSTI Identifier:
1281252
DOI:
10.17188/1281252

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Co4Pb(CO)16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281252.
Persson, Kristin, & Project, Materials. Materials Data on Co4Pb(CO)16 by Materials Project. United States. doi:10.17188/1281252.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Co4Pb(CO)16 by Materials Project". United States. doi:10.17188/1281252. https://www.osti.gov/servlets/purl/1281252. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281252,
title = {Materials Data on Co4Pb(CO)16 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Co4Pb(CO)16 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four Co4Pb(CO)16 clusters. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to one Pb2+ and four C+1.38+ atoms to form distorted corner-sharing CoPbC4 trigonal pyramids. The Co–Pb bond length is 2.80 Å. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. In the second Co2+ site, Co2+ is bonded to one Pb2+ and four C+1.38+ atoms to form distorted corner-sharing CoPbC4 trigonal pyramids. The Co–Pb bond length is 2.81 Å. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. Pb2+ is bonded in a tetrahedral geometry to four Co2+ atoms. There are eight inequivalent C+1.38+ sites. In the first C+1.38+ site, C+1.38+ 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+1.38+ site, C+1.38+ 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+1.38+ site, C+1.38+ 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+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.15 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom.},
doi = {10.17188/1281252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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