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Materials Data on CoI7N6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1708308· OSTI ID:1708308
Co(IN1)2(IN2)2(I)3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two cobalt molecules; four jodamin molecules; four IN2 clusters; and two I ribbons oriented in the (0, 1, 0) direction. In each IN2 cluster, N+0.67+ is bonded in a distorted single-bond geometry to one I1- atom. The N–I bond length is 2.02 Å. I1- is bonded in a distorted L-shaped geometry to two equivalent N+0.67+ atoms. In each I ribbon, there are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 8-coordinate geometry to four equivalent I1- atoms. All I–I bond lengths are 3.25 Å. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent I1- atoms.
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:
1708308
Report Number(s):
mp-1105312
Country of Publication:
United States
Language:
English

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