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Issue 22, 2002
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Structure determination of the anhydrous form of MIL-3K: a vanadodiphosphonate with a 3D hybrid framework

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Abstract

K(VVO(H2O))(VIVO)O{O3P–(CH2)2–PO3} (labelled MIL-3K) is a vanado-ethylenediphosphonate whose previously reported hybrid framework reversibly dehydrates. Its anhydrous form (KVIV/V2O3{O3P–(CH2)2–PO3} or MIL-3Kan) has been determined from X-ray powder diffraction data in the centrosymmetric triclinic P[1 with combining macron] (no. 2) space group with lattice parameters: a = 7.2375(1) , b = 8.1852(1), c = 9.8862(2) Å, α = 83.2209(9), β = 65.223(1), γ = 76.492(1)°, V = 516.90(2), Z = 2. RF2 = 0.0920 and Rwp = 0.0157. The two structures of MIL-3K and MIL-3Kan are quite similar, just the square pyramidal coordination of one vanadium atom of the hydrate transforms into a VVO4 tetrahedron in the dehydrated form. This change induces the opening of eight-membered channels delimited by phosphonate tetrahedra and vanadium polyhedra in strict alternation.

Graphical abstract: Structure determination of the anhydrous form of MIL-3K: a vanadodiphosphonate with a 3D hybrid framework

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Publication details

The article was received on 06 Jun 2002, accepted on 10 Sep 2002 and first published on 17 Oct 2002


Article type: Paper
DOI: 10.1039/B205469H
J. Chem. Soc., Dalton Trans., 2002, 4152-4155

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    Structure determination of the anhydrous form of MIL-3K: a vanadodiphosphonate with a 3D hybrid framework

    K. O. Kongshaug and D. Riou, J. Chem. Soc., Dalton Trans., 2002, 4152
    DOI: 10.1039/B205469H

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