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Title: Materials Data on Cd(C2N3)2 by Materials Project

Abstract

Cd(C2N3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.30–2.52 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one Cd2+ and two C4+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Cd2+ and one C4+ atom.

Publication Date:
Other Number(s):
mp-636559
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; Cd(C2N3)2; C-Cd-N
OSTI Identifier:
1279589
DOI:
10.17188/1279589

Citation Formats

The Materials Project. Materials Data on Cd(C2N3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279589.
The Materials Project. Materials Data on Cd(C2N3)2 by Materials Project. United States. doi:10.17188/1279589.
The Materials Project. 2020. "Materials Data on Cd(C2N3)2 by Materials Project". United States. doi:10.17188/1279589. https://www.osti.gov/servlets/purl/1279589. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279589,
title = {Materials Data on Cd(C2N3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(C2N3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.30–2.52 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one Cd2+ and two C4+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Cd2+ and one C4+ atom.},
doi = {10.17188/1279589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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