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Title: Materials Data on CrCuN6Cl5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1318242· OSTI ID:1318242

Cr(N2Cl)3CuCl2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional and consists of four copper chloride molecules and one Cr(N2Cl)3 framework. In the Cr(N2Cl)3 framework, Cr6+ is bonded in a hexagonal planar geometry to six equivalent N+0.33- atoms. All Cr–N bond lengths are 1.83 Å. N+0.33- is bonded in a distorted single-bond geometry to one Cr6+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.27 Å. Cl1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent N+0.33- atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1318242
Report Number(s):
mp-1006615
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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