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Title: Materials Data on CN3Cl by Materials Project

Abstract

CN3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CN3Cl clusters. C4+ is bonded in a trigonal planar geometry to three N1- atoms. There are a spread of C–N bond distances ranging from 1.28–1.47 Å. There are three inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N1- atom. The N–N bond length is 1.24 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the third N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one N1- atom.

Authors:
Publication Date:
Other Number(s):
mp-1188937
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; CN3Cl; C-Cl-N
OSTI Identifier:
1688090
DOI:
https://doi.org/10.17188/1688090

Citation Formats

The Materials Project. Materials Data on CN3Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688090.
The Materials Project. Materials Data on CN3Cl by Materials Project. United States. doi:https://doi.org/10.17188/1688090
The Materials Project. 2020. "Materials Data on CN3Cl by Materials Project". United States. doi:https://doi.org/10.17188/1688090. https://www.osti.gov/servlets/purl/1688090. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688090,
title = {Materials Data on CN3Cl by Materials Project},
author = {The Materials Project},
abstractNote = {CN3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CN3Cl clusters. C4+ is bonded in a trigonal planar geometry to three N1- atoms. There are a spread of C–N bond distances ranging from 1.28–1.47 Å. There are three inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N1- atom. The N–N bond length is 1.24 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the third N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one N1- atom.},
doi = {10.17188/1688090},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}