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Refinement of the crystal structure of zirconyl chloride octahydrate

1968; NRC Research Press; Volume: 46; Issue: 22 Linguagem: Inglês

10.1139/v68-579

1480-3291

Thomas C. W. Mak,

X-ray Diffraction in Crystallography

The crystal structure of zirconyl chloride octahydrate, ZrOCl 2• 8H 2 O, has been refined by the least-squares method with new three-dimensional data. Existence of the [Zr 4 (OH) 8 (H 2 O) 16 ] 8+ tetranuclear complex has been confirmed. However, the coordination polyhedron about each zirconium atom differs considerably from the D 4d antiprismatic geometry reported previously. It is, in fact, more closely related to the D 2d dodecahedron, and has twofold axial symmetry within the limits of experimental error. Mean bond lengths in the [Zr 4 (OH) 8 (H 2 O) 16 ] 8+ complex, which approximates closely to D 2d point-group symmetry, are: Zr—OH (bridging) = 2.142 ± 0.019 Å and Zr—OH 2 (terminal) = 2.272 ± 0.032 Å.