Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo 2 Fe 2 O 7

Rosén, E.; Pi, T.-W.; Hu, Z.; Schweika, W.; Fiebig, M.; Valldor, M.; Meven, M.; Leo, N. R.; Reim, Johannes; Meier, D.; Kuo, C.-Y.; Schmidt, M.

doi:10.1107/S1600576714023528

Journal Article

FZJ-2014-06691

Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo 2 Fe 2 O 7

Rosén, E. ; Schweika, W.FZJ* ; Meven, M.FZJ* ; Leo, N. R. ; Meier, D. ; Fiebig, M. ; Kuo, C.-Y. ; Pi, T.-W. ; Hu, Z. ; Valldor, M. ; Reim, J.FZJ* ; Schmidt, M.

2014
Munksgaard Copenhagen

Journal of applied crystallography 47(6), 2038 - 2047 (2014) [10.1107/S1600576714023528]

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Please use a persistent id in citations: doi:10.1107/S1600576714023528

Abstract: Centimetre-sized single crystals of high-quality CaBaCo2Fe2O7 were synthesized by the optical floating zone technique. The metal-to-metal stoichiometry and oxygen content were confirmed by spectroscopy and thermal reduction experiments. The hexagonal symmetry P63mc (No. 186) well describes the powder X-ray and neutron diffraction as well as single-crystal neutron diffraction at all measured temperatures. This symmetry is also consistent with optical second harmonic generation data obtained between 10 and 295 K. However, a satisfactory structure description from single-crystal neutron diffraction data needs an oxygen split position. Specific heat, magnetic susceptibility and powder neutron diffraction data indicate a magnetic phase transition at TN = 159 K to an antiferromagnetic ground state, but with a persisting hexagonal symmetry and intrinsic geometric frustration.

Keyword(s): Basic research (1st) ; Key Technologies (1st) ; Others (1st) ; Information Technology and Functional Materials (1st) ; Crystallography (2nd) ; Magnetism (2nd)