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Title: Materials Data on CsCoH24(C7N4)2 by Materials Project

Abstract

CsCo(CN)6(N(CH3)4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one CsCo(CN)6 framework. In the CsCo(CN)6 framework, Cs1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (3.69 Å) and two longer (3.73 Å) Cs–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. All Co–C bond lengths are 1.88 Å. There are two inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom.

Authors:
Publication Date:
Other Number(s):
mp-1197964
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsCoH24(C7N4)2; C-Co-Cs-H-N
OSTI Identifier:
1721872
DOI:
https://doi.org/10.17188/1721872

Citation Formats

The Materials Project. Materials Data on CsCoH24(C7N4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1721872.
The Materials Project. Materials Data on CsCoH24(C7N4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1721872
The Materials Project. 2020. "Materials Data on CsCoH24(C7N4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1721872. https://www.osti.gov/servlets/purl/1721872. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1721872,
title = {Materials Data on CsCoH24(C7N4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsCo(CN)6(N(CH3)4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one CsCo(CN)6 framework. In the CsCo(CN)6 framework, Cs1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (3.69 Å) and two longer (3.73 Å) Cs–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. All Co–C bond lengths are 1.88 Å. There are two inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cs1+ and one C+0.14- atom.},
doi = {10.17188/1721872},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}