ZrO6containing

ZrO6-containing refers to compounds or materials in which zirconium centers are coordinated by six oxide ligands to form ZrO6 octahedra. In these structures, Zr(IV) sits at the center of an octahedron of oxide ions and octahedra connect via shared corners or edges to create extended networks. The term is often used in discussions of zirconia-based ceramics, oxide frameworks, and related materials where ZrO6 units are dominant structural motifs.

ZrO6 octahedra typically exhibit distortions due to varying bond angles and Zr–O distances, with Zr–O bond lengths around 2.0–2.2 Å depending on composition and temperature. Depending on the material, ZrO6 units may be part of high-symmetry cubic, tetragonal, or monoclinic lattices, and may contain oxygen vacancies or hydroxide groups that affect coordination and connectivity.

Common examples include zirconia (ZrO2) in its high-temperature tetragonal and cubic phases where ZrO6 octahedra form continuous networks, and stabilized zirconia (e.g., yttria-stabilized ZrO2) used in electrolytes and coatings. ZrO6 units also appear in some zirconium-containing silicates and in certain perovskite-structured oxides where Zr occupies the B-site, forming BO6-like octahedra within the framework.

Applications span ceramics, thermal barrier coatings, solid oxide fuel cell electrolytes, and heterogeneous catalysis, where robust Zr–O frameworks confer thermal stability and chemical resistance. Characterization methods include X-ray diffraction for long-range order, spectroscopy (Raman, IR) for local symmetry, and X-ray absorption techniques (XANES/EXAFS) to probe Zr coordination and Zr–O bond distances.