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Title: Materials Data on CoH2(CN2)2 by Materials Project

Abstract

Co(HNCN)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co2+ is bonded to six N3- atoms to form edge-sharing CoN6 octahedra. There are two shorter (2.00 Å) and four longer (2.21 Å) Co–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Co2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. H1+ is bonded in a single-bond geometry to one N3- atom.

Publication Date:
Other Number(s):
mp-1181855
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; CoH2(CN2)2; C-Co-H-N
OSTI Identifier:
1675926
DOI:
10.17188/1675926

Citation Formats

The Materials Project. Materials Data on CoH2(CN2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1675926.
The Materials Project. Materials Data on CoH2(CN2)2 by Materials Project. United States. doi:10.17188/1675926.
The Materials Project. 2019. "Materials Data on CoH2(CN2)2 by Materials Project". United States. doi:10.17188/1675926. https://www.osti.gov/servlets/purl/1675926. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1675926,
title = {Materials Data on CoH2(CN2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co(HNCN)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co2+ is bonded to six N3- atoms to form edge-sharing CoN6 octahedra. There are two shorter (2.00 Å) and four longer (2.21 Å) Co–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Co2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1675926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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