Materials Data on Bi2H18C3(IN)9 by Materials Project
(CN3H6)3Bi2I9 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Bi2I9 clusters. In each Bi2I9 cluster, Bi3+ is bonded to six I1- atoms to form face-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 2.97–3.32 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Bi3+ atom. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.
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