title: New mercury vanadium phosphate hydrate Hg(4)(-)(x)()O(1-)(y)()((VO)(PO(4))(2).H(2)O with unprecedented tetrahedral oxo-cluster [Hg( approximately )(4)O( approximately )(5)].
abstract: The new mercury vanadium phosphate hydrate Hg(4)(-)(x)()O(1)(-)(y)()(VO)(PO(4))(2).H(2)O has been synthesized under hydrothermal conditions. X-ray investigations led to orthorhombic symmetry, space group P2(1)2(1)2(1) (No. 19), a = 6.3632(2) A, b = 12.4155(5) A, c = 14.2292(6) A, Z = 4. The crystal structure was solved and refined from single-crystal diffractometer data to residuals R[F(2) > 2sigmaF(2)] = 0.039, R(w)(F(2)) = 0.055. The VPO framework consists of infinite one-dimensional [VO(PO(4))(2)]( infinity ) chains with corner-connected VO(6) octahedra and PO(4) tetrahedra. The chains run along the [100] direction and are held together by the unprecedented tetrahedral cationic units [Hg(4)(-)(x)()O(1)(-)(y)()](4+). Presence of Hg-Hg bonding contacts is proved from theoretical calculations.
authors.affiliation: Département de Physicochimie, UPRES 1795, Ecole Nationale Supérieure de Chimie de Rennes, Institut de Chimie de Rennes, Campus de Beaulieu, Avenue du Général Leclerc, 35700 Rennes, France.
authors.forename: E
authors.initials: E
authors.lastname: Le Fur
authors.forename: R
authors.initials: R
authors.lastname: Gautier
authors.forename: E
authors.initials: E
authors.lastname: Furet
authors.forename: J Y
authors.initials: JY
authors.lastname: Pivan