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Title: Materials Data on CuH3NCl by Materials Project

Abstract

CuNH3Cl is Graphite-like structured and crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of eight CuNH3Cl clusters. Cu1+ is bonded in a linear geometry to one N3- and one Cl1- atom. The Cu–N bond length is 1.91 Å. The Cu–Cl bond length is 2.12 Å. N3- is bonded in a distorted tetrahedral geometry to one Cu1+ and three equivalent H1+ atoms. All N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cu1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-866635
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; CuH3NCl; Cl-Cu-H-N
OSTI Identifier:
1311613
DOI:
https://doi.org/10.17188/1311613

Citation Formats

The Materials Project. Materials Data on CuH3NCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311613.
The Materials Project. Materials Data on CuH3NCl by Materials Project. United States. doi:https://doi.org/10.17188/1311613
The Materials Project. 2020. "Materials Data on CuH3NCl by Materials Project". United States. doi:https://doi.org/10.17188/1311613. https://www.osti.gov/servlets/purl/1311613. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1311613,
title = {Materials Data on CuH3NCl by Materials Project},
author = {The Materials Project},
abstractNote = {CuNH3Cl is Graphite-like structured and crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of eight CuNH3Cl clusters. Cu1+ is bonded in a linear geometry to one N3- and one Cl1- atom. The Cu–N bond length is 1.91 Å. The Cu–Cl bond length is 2.12 Å. N3- is bonded in a distorted tetrahedral geometry to one Cu1+ and three equivalent H1+ atoms. All N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cu1+ atom.},
doi = {10.17188/1311613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}