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Title: Materials Data on CuH8C2NCl3 by Materials Project

Abstract

(CH3)2NH2CuCl3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight dimethylazanium molecules and two CuCl3 ribbons oriented in the (0, 0, 1) direction. In each CuCl3 ribbon, Cu2+ is bonded to five Cl1- atoms to form edge-sharing CuCl5 trigonal bipyramids. There are a spread of Cu–Cl bond distances ranging from 2.27–2.77 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.

Publication Date:
Other Number(s):
mp-698413
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; CuH8C2NCl3; C-Cl-Cu-H-N
OSTI Identifier:
1281921
DOI:
10.17188/1281921

Citation Formats

The Materials Project. Materials Data on CuH8C2NCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281921.
The Materials Project. Materials Data on CuH8C2NCl3 by Materials Project. United States. doi:10.17188/1281921.
The Materials Project. 2020. "Materials Data on CuH8C2NCl3 by Materials Project". United States. doi:10.17188/1281921. https://www.osti.gov/servlets/purl/1281921. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1281921,
title = {Materials Data on CuH8C2NCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CH3)2NH2CuCl3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight dimethylazanium molecules and two CuCl3 ribbons oriented in the (0, 0, 1) direction. In each CuCl3 ribbon, Cu2+ is bonded to five Cl1- atoms to form edge-sharing CuCl5 trigonal bipyramids. There are a spread of Cu–Cl bond distances ranging from 2.27–2.77 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.},
doi = {10.17188/1281921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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