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Title: Materials Data on Cd3Co2(CN)12 by Materials Project

Abstract

Cd(CoCd(CN)6)2 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional and consists of one cadmium molecule and one CoCd(CN)6 framework. In the CoCd(CN)6 framework, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. In the second Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.27–2.41 Å. There are three inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the firstmore » N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom.« less

Publication Date:
Other Number(s):
mp-1227386
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; Cd3Co2(CN)12; C-Cd-Co-N
OSTI Identifier:
1715091
DOI:
https://doi.org/10.17188/1715091

Citation Formats

The Materials Project. Materials Data on Cd3Co2(CN)12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715091.
The Materials Project. Materials Data on Cd3Co2(CN)12 by Materials Project. United States. doi:https://doi.org/10.17188/1715091
The Materials Project. 2020. "Materials Data on Cd3Co2(CN)12 by Materials Project". United States. doi:https://doi.org/10.17188/1715091. https://www.osti.gov/servlets/purl/1715091. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1715091,
title = {Materials Data on Cd3Co2(CN)12 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(CoCd(CN)6)2 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional and consists of one cadmium molecule and one CoCd(CN)6 framework. In the CoCd(CN)6 framework, there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. In the second Co2+ site, Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.27–2.41 Å. There are three inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the third C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C+2.17+ atom.},
doi = {10.17188/1715091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}