A one-dimensional zirconium hydroxyfluoride, [Zr(OH)2F3][enH]

The first example of a unidimensional zirconium hydroxide fluoride was synthesized under mild solvothermal treatment and characterized by X-ray diffraction and thermal techniques. Monoprotonated ethylenediamine cations reside between the anionic chains. Crystal data for this material are as follows: [C2N2H9][Zr(OH)2F3], M=243.35, orthorhombic, space group Pca21, a=6.8016(13)a=6.8016(13), b=6.1393(12)b=6.1393(12), c=14.867(3)Å, V=620.8(2)Å3, T=294(2)K, Z=4Z=4, Dc=2.604gcm-3, μ(Mo-Kα)=1.777 mm−1, λ=0.71073Å. The material transforms to an unknown layered material at ∼175 °C, a common occurrence for 1D structures where the chains are arranged in hydrogen-bonded layers and separated by interlayer organoammoniums. Collapse to the known condensed mineral phase Zr(FO)2.7 occurs at ca. 275 °C before finally transforming to the baddeleyite form of ZrO2 at ca. 460 °C.

A polyhedral view showing the 1D chains of edge-sharing [Zr(OH)2F3]− pentagonal bipyramids. The anionic chains are charge-balanced by monoprotonated ethylenediamine cations, the latter displayed in ball-and-stick form.Figure optionsDownload as PowerPoint slide