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Materials Data on Sb2H18C3(IN)9 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1651963· OSTI ID:1651963
(CN3H6)3Sb2I9 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Sb2I9 clusters. In each Sb2I9 cluster, Sb3+ is bonded to six I1- atoms to form face-sharing SbI6 octahedra. There are a spread of Sb–I bond distances ranging from 2.88–3.30 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Sb3+ 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:
1651963
Report Number(s):
mp-1199335
Country of Publication:
United States
Language:
English

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