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Materials Data on CoCuH18N6Cl5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199765· OSTI ID:1199765
Co(NH3)6CuCl5 is Halite, Rock Salt structured and crystallizes in the cubic Fd-3c space group. The structure is zero-dimensional and consists of thirty-two azane;cobalt molecules and thirty-two CuCl5 clusters. In each CuCl5 cluster, Cu2+ is bonded in a trigonal bipyramidal geometry to five Cl1- atoms. There are two shorter (2.30 Å) and three longer (2.44 Å) Cu–Cl bond lengths. 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:
1199765
Report Number(s):
mp-23857
Country of Publication:
United States
Language:
English

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