Materials Data on Sc6FeSb2 by Materials Project
Sc6FeSb2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to one Fe and four equivalent Sb atoms. The Sc–Fe bond length is 2.98 Å. All Sc–Sb bond lengths are 3.07 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Sb atoms. Both Sc–Fe bond lengths are 2.64 Å. Both Sc–Sb bond lengths are 3.02 Å. Fe is bonded in a 9-coordinate geometry to nine Sc atoms. Sb is bonded in a 9-coordinate geometry to nine Sc atoms.
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