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DOI: 10.1039/A802710B (Paper) Reference Section for: J. Mater. Chem., 1999, 9, 579-584

Hydrothermal synthesis and ab initio structurfal approach of two new layered oxyfluorinated titanium(IV) phosphates: Ti2(PO4)2F4·N2C2H10 (MIL-6) and Ti2(PO4)2F4·N2C3H12·H2O

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Christian Serre and Gérard Férey

Abstract

Ti2(PO4)2F4·N2C2H10 (MIL-6) and Ti2(PO4)2F4·N2C3H12·H2O were prepared hydrothermally (3 days, 453-483 K, autogenous pressure) in the presence of an organic template (ethylenediamine or 1,3-diaminopropane). The structures of Ti2(PO4)2F4·N2C2H101 and Ti2(PO4)2F4·N2C3H12·H2O 2 were determined ab initio from powder diffraction data. These structures exhibit different monoclinic distortions of the VOPO4·2H2O structure type. 1: space group P21/c (no. 14), a=7.508(1), b=8.881(1), c=8.961(1) Å, β=107.22(1)° and V=570.8(1) Å3. 2: space group C2 (no. 5), a=16.820(2), b=6.333(2), c=6.331(2) Å, β=106.20° and V=645.8(1) Å3. Both are layered compounds built up from TiO4F2 octahedra linked together by PO4 tetrahedra; the Ti-F bonds are oriented perpendicularly to the layers which contain the diprotonated amine. The stability of the structures is ensured by the strong hydrogen bonding between the fluorine atoms and the amino groups.

References

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