Materials Data on Sc7CoI12 by Materials Project
Sc7CoI12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in an octahedral geometry to six equivalent I atoms. All Sc–I bond lengths are 2.91 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to one Co and five I atoms. The Sc–Co bond length is 2.43 Å. There are a spread of Sc–I bond distances ranging from 2.93–3.51 Å. Co is bonded in an octahedral geometry to six equivalent Sc atoms. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three equivalent Sc atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Sc atoms.
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