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Title: Materials Data on CuH20C6(NCl2)2 by Materials Project

Abstract

(C3H7NH3)2CuCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Cl1- atoms. There are three shorter (2.27 Å) and one longer (2.28 Å) Cu–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1199822
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; CuH20C6(NCl2)2; C-Cl-Cu-H-N
OSTI Identifier:
1738343
DOI:
https://doi.org/10.17188/1738343

Citation Formats

The Materials Project. Materials Data on CuH20C6(NCl2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738343.
The Materials Project. Materials Data on CuH20C6(NCl2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1738343
The Materials Project. 2020. "Materials Data on CuH20C6(NCl2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1738343. https://www.osti.gov/servlets/purl/1738343. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738343,
title = {Materials Data on CuH20C6(NCl2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(C3H7NH3)2CuCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Cl1- atoms. There are three shorter (2.27 Å) and one longer (2.28 Å) Cu–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.},
doi = {10.17188/1738343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}