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Title: Materials Data on CoAg(CO)4 by Materials Project

Abstract

CoAg(CO)4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two CoAg(CO)4 clusters. there are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. In the second Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. All Co–C bond lengths are 1.78 Å. Ag1+ is bonded in a 2-coordinate geometry to two Co1+ and two equivalent Ag1+ atoms. There are one shorter (3.02 Å) and one longer (3.05 Å) Ag–Ag bond lengths. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.50+ site, C+1.50+ is bonded in a distorted single-bondmore » geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom.« less

Publication Date:
Other Number(s):
mp-647969
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; CoAg(CO)4; Ag-C-Co-O
OSTI Identifier:
1280787
DOI:
https://doi.org/10.17188/1280787

Citation Formats

The Materials Project. Materials Data on CoAg(CO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280787.
The Materials Project. Materials Data on CoAg(CO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1280787
The Materials Project. 2020. "Materials Data on CoAg(CO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1280787. https://www.osti.gov/servlets/purl/1280787. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280787,
title = {Materials Data on CoAg(CO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CoAg(CO)4 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two CoAg(CO)4 clusters. there are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. There is two shorter (1.77 Å) and two longer (1.78 Å) Co–C bond length. In the second Co1+ site, Co1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four C+1.50+ atoms. Both Co–Ag bond lengths are 2.62 Å. All Co–C bond lengths are 1.78 Å. Ag1+ is bonded in a 2-coordinate geometry to two Co1+ and two equivalent Ag1+ atoms. There are one shorter (3.02 Å) and one longer (3.05 Å) Ag–Ag bond lengths. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the second C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.50+ site, C+1.50+ is bonded in a distorted single-bond geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a distorted linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom.},
doi = {10.17188/1280787},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}