TY  - JOUR
AU  - Rosén, E.
AU  - Schweika, W.
AU  - Meven, M.
AU  - Leo, N. R.
AU  - Meier, D.
AU  - Fiebig, M.
AU  - Kuo, C.-Y.
AU  - Pi, T.-W.
AU  - Hu, Z.
AU  - Valldor, M.
AU  - Reim, Johannes
AU  - Schmidt, M.
TI  - Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo 2 Fe 2 O 7
JO  - Journal of applied crystallography
VL  - 47
IS  - 6
SN  - 1600-5767
CY  - Copenhagen
PB  - Munksgaard
M1  - FZJ-2014-06691
SP  - 2038 - 2047
PY  - 2014
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000345877900027
DO  - DOI:10.1107/S1600576714023528
UR  - https://juser.fz-juelich.de/record/173280
ER  -