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Title: Materials Data on Co3SnC12ClO12 by Materials Project

Abstract

(Co(CO)4)3SnCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tin chloride (sncl) molecules and twelve Co(CO)4 clusters. In four of the Co(CO)4 clusters, Co+1.67+ is bonded in a trigonal pyramidal geometry to four C+1.33+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. 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 bondedmore » 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. In eight of the Co(CO)4 clusters, Co+1.67+ is bonded in a trigonal pyramidal geometry to four C+1.33+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. There are four inequivalent C+1.33+ sites. In the first 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 second 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 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 1.16 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 1.15 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.« less

Publication Date:
Other Number(s):
mp-1202020
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; Co3SnC12ClO12; C-Cl-Co-O-Sn
OSTI Identifier:
1729546
DOI:
https://doi.org/10.17188/1729546

Citation Formats

The Materials Project. Materials Data on Co3SnC12ClO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729546.
The Materials Project. Materials Data on Co3SnC12ClO12 by Materials Project. United States. doi:https://doi.org/10.17188/1729546
The Materials Project. 2020. "Materials Data on Co3SnC12ClO12 by Materials Project". United States. doi:https://doi.org/10.17188/1729546. https://www.osti.gov/servlets/purl/1729546. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1729546,
title = {Materials Data on Co3SnC12ClO12 by Materials Project},
author = {The Materials Project},
abstractNote = {(Co(CO)4)3SnCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tin chloride (sncl) molecules and twelve Co(CO)4 clusters. In four of the Co(CO)4 clusters, Co+1.67+ is bonded in a trigonal pyramidal geometry to four C+1.33+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. 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. In eight of the Co(CO)4 clusters, Co+1.67+ is bonded in a trigonal pyramidal geometry to four C+1.33+ atoms. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. There are four inequivalent C+1.33+ sites. In the first 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 second 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 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 1.16 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 1.15 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 = {10.17188/1729546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}