%0 Journal Article
%A Rosén, E.
%A Schweika, W.
%A Meven, M.
%A Leo, N. R.
%A Meier, D.
%A Fiebig, M.
%A Kuo, C.-Y.
%A Pi, T.-W.
%A Hu, Z.
%A Valldor, M.
%A Reim, Johannes
%A Schmidt, M.
%T Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo 2 Fe 2 O 7
%J Journal of applied crystallography
%V 47
%N 6
%@ 1600-5767
%C Copenhagen
%I Munksgaard
%M FZJ-2014-06691
%P 2038 - 2047
%D 2014
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000345877900027
%R 10.1107/S1600576714023528
%U https://juser.fz-juelich.de/record/173280