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RESEARCH PRODUCT
Synthesis, crystal structures, magnetic properties, and lattice dynamics of Ba2XCu(OH)[V2O7] with X=Cl, Br
Angela MöllerAngela MöllerAlexander P. LitvinchukJoshua TappKewen Sunsubject
Materials science010405 organic chemistryHalideCrystal structure010402 general chemistryCondensed Matter Physics01 natural sciencesHydrothermal circulation0104 chemical sciencesElectronic Optical and Magnetic MaterialsIonInorganic Chemistrysymbols.namesakeCrystallographyPlanarAtomMaterials ChemistryCeramics and CompositessymbolsAntiferromagnetismPhysical and Theoretical ChemistryRaman spectroscopydescription
Abstract We have synthesized Ba2XCu(OH)[V2O7] with X=Cl, Br by hydrothermal methods. The isotypic structures (Pnma, Z=4, a≈15.1 A, b≈6.1 A, c≈9.6 A) contain distorted hexagonal layers of Ba and X in a BN-type arrangement. Each halide is further coordinated by one out-of plane Ba atom in an alternate up-down fashion resulting in an overall Ba 2 X 3 + ∞ 2 structural feature. The planar Ba–X hexagonal rings are centered by divanadate groups in an eclipsed orientation. Edge-sharing chains of CuO 2/2 (OH) 2/2 O 2/1 5 - ∞ 1 complement the structure. The magnetic properties are associated with the magnetic Cu2+ ions and can be described as an antiferromagnetic quasi 1D S=1/2 Heisenberg system. Confirmation is obtained from both magnetic and specific heat measurements. Furthermore, lattice dynamics are studied by DFT methods, IR, and Raman spectroscopy.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-04-01 | Journal of Solid State Chemistry |