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.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1281921
- Report Number(s):
- mp-698413
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; CuH8C2NCl3; C-Cl-Cu-H-N
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. https://doi.org/10.17188/1281921
The Materials Project. 2020.
"Materials Data on CuH8C2NCl3 by Materials Project". United States. https://doi.org/10.17188/1281921. https://www.osti.gov/servlets/purl/1281921.
@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},
url = {https://www.osti.gov/biblio/1281921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.