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Title: Materials Data on Co2Hg(CO)8 by Materials Project

Abstract

Co2Hg(CO)8 is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Co2Hg(CO)8 clusters. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to one Hg2+ and four C+1.25+ atoms to form distorted corner-sharing CoHgC4 trigonal pyramids. The Co–Hg bond length is 2.57 Å. There is one shorter (1.76 Å) and three longer (1.78 Å) Co–C bond length. In the second Co2+ site, Co2+ is bonded to one Hg2+ and four C+1.25+ atoms to form distorted corner-sharing CoHgC4 trigonal pyramids. The Co–Hg bond length is 2.58 Å. There is three shorter (1.77 Å) and one longer (1.78 Å) Co–C bond length. Hg2+ is bonded in a linear geometry to two Co2+ atoms. There are eight inequivalent C+1.25+ sites. In the first C+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and onemore » O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom.« less

Publication Date:
Other Number(s):
mp-1203471
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; Co2Hg(CO)8; C-Co-Hg-O
OSTI Identifier:
1651589
DOI:
https://doi.org/10.17188/1651589

Citation Formats

The Materials Project. Materials Data on Co2Hg(CO)8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651589.
The Materials Project. Materials Data on Co2Hg(CO)8 by Materials Project. United States. doi:https://doi.org/10.17188/1651589
The Materials Project. 2019. "Materials Data on Co2Hg(CO)8 by Materials Project". United States. doi:https://doi.org/10.17188/1651589. https://www.osti.gov/servlets/purl/1651589. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651589,
title = {Materials Data on Co2Hg(CO)8 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2Hg(CO)8 is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Co2Hg(CO)8 clusters. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to one Hg2+ and four C+1.25+ atoms to form distorted corner-sharing CoHgC4 trigonal pyramids. The Co–Hg bond length is 2.57 Å. There is one shorter (1.76 Å) and three longer (1.78 Å) Co–C bond length. In the second Co2+ site, Co2+ is bonded to one Hg2+ and four C+1.25+ atoms to form distorted corner-sharing CoHgC4 trigonal pyramids. The Co–Hg bond length is 2.58 Å. There is three shorter (1.77 Å) and one longer (1.78 Å) Co–C bond length. Hg2+ is bonded in a linear geometry to two Co2+ atoms. There are eight inequivalent C+1.25+ sites. In the first C+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ 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+1.25+ site, C+1.25+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.25+ atom.},
doi = {10.17188/1651589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}