Synthesis and structures of Sc7Cl12 and Zr6Cl15

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Abstract
The indicated nine‐electron clusters of scandium and zirconium are formed in transport reactions at 880/900°C and 750/600°C, respectively. Sc7Cl12 (R¯3, a – 12.959(2), c – 8.825(2), Z – 3) can be described as c.c.p. Sc6Cl12 clusters with isolated metal atoms in all octahedral interstices or as Sc3+(Sc6Cl6iCl6i−a) 3− with Sc3+ in Cli octahedra between Sc6Cl sheets. Metal‐metal distances within the cluster are 3.201−3.230(2) Å. Zr6Cl12iCl crystallizes in the Ta6Cl15 structure (Ia3d, a – 21.141(3) Å, Z – 16) with d(ZrZr) = 3,199–3.214(4) Å. Apparent residual electron density is found in the center of both clusters, amounting to Z∼7.6 (Sc) and ∼6 (Zr) based of refinement of oxygen in these positions. The effect is thought to probably arise from errors in the diffraction data rather than partial incorporation of light nonmetal atoms such as oxygen or fluorine. Observed metal‐metal distances are compared with those in other clusters.