Materials Data on Sc6Te2Ir by Materials Project
Sc6IrTe2 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 4-coordinate geometry to two equivalent Ir and two equivalent Te atoms. Both Sc–Ir bond lengths are 2.69 Å. Both Sc–Te bond lengths are 3.02 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to one Ir and four equivalent Te atoms. The Sc–Ir bond length is 3.01 Å. All Sc–Te bond lengths are 3.09 Å. Ir is bonded in a 9-coordinate geometry to nine Sc atoms. Te is bonded in a 9-coordinate geometry to nine Sc atoms.
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