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Crystal structure and magnetic properties of FeTe2O5X (X = Cl, Br): A frustrated spin cluster compound with a new Te(IV) coordination polyhedron

MPS-Authors
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Johnsson,  M.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Former Scientific Facilities, Max Planck Institute for Solid State Research, Max Planck Society;

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Kremer,  R. K.
Former Scientific Facilities, Max Planck Institute for Solid State Research, Max Planck Society;

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Lemmens,  P.
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Becker, R., Johnsson, M., Kremer, R. K., Klauss, H. H., & Lemmens, P. (2006). Crystal structure and magnetic properties of FeTe2O5X (X = Cl, Br): A frustrated spin cluster compound with a new Te(IV) coordination polyhedron. Journal of the American Chemical Society, 128(48), 15469-15475.


Cite as: https://hdl.handle.net/21.11116/0000-000E-FEFC-9
Abstract
A new layered transition metal oxohalide, FeTe2O5ClxBr1-x, has been
identified. It crystallizes in the monoclinic space group P2(1)/c. The
unit cell for FeTe2O5Br is a = 13.3964(8), b = 6.5966(4), c =
14.2897(6) angstrom beta = 108.118(6)degrees, and Z = 8. The layers are
built of edge sharing [FeO6] octahedra forming [Fe4O16](20-) units that
are linked by [Te4O10X2](6-) groups. The layers have no net charge and
are only weakly connected via van der Waals forces to adjacent layers.
There are four crystallographically different Te atoms, and one of them
displays a unique [TeO2X] coordination polyhedron (X = Cl, Br).
Magnetic susceptibility measurements show a broad maximum typical for
4-spin clusters of coupled Fe(III) ions in the high-spin state.
Evidence for magnetic instabilities exists at low temperatures, which
have been confirmed with specific heat experiments. A theoretical
modeling of the susceptibility concludes a frustration of the
intra-tetramer anti-ferromagnetic exchange interaction.