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Title: Materials Data on Cd(C5N)12 by Materials Project

Abstract

CdN10(C)60N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules, sixty medicinal charcoal molecules, and one CdN10 cluster. In the CdN10 cluster, Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.15–2.19 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cd2+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and one N3- atom. The N–N bond length is 3.27 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two N3- atoms. The N–N bond length is 3.38 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and two N3- atoms. The N–N bond length is 3.14 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one N3- atom.

Authors:
Publication Date:
Other Number(s):
mp-1214070
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; Cd(C5N)12; C-Cd-N
OSTI Identifier:
1705798
DOI:
https://doi.org/10.17188/1705798

Citation Formats

The Materials Project. Materials Data on Cd(C5N)12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705798.
The Materials Project. Materials Data on Cd(C5N)12 by Materials Project. United States. doi:https://doi.org/10.17188/1705798
The Materials Project. 2020. "Materials Data on Cd(C5N)12 by Materials Project". United States. doi:https://doi.org/10.17188/1705798. https://www.osti.gov/servlets/purl/1705798. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1705798,
title = {Materials Data on Cd(C5N)12 by Materials Project},
author = {The Materials Project},
abstractNote = {CdN10(C)60N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules, sixty medicinal charcoal molecules, and one CdN10 cluster. In the CdN10 cluster, Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Cd–N bond distances ranging from 2.15–2.19 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cd2+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and one N3- atom. The N–N bond length is 3.27 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two N3- atoms. The N–N bond length is 3.38 Å. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Cd2+ and two N3- atoms. The N–N bond length is 3.14 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1705798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}