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Materials Data on Cu(NCl2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1678307· OSTI ID:1678307
CuCl4N2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ammonia molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. All Cu–Cl bond lengths are 2.15 Å. There are two 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.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1678307
Report Number(s):
mp-1104198
Country of Publication:
United States
Language:
English

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