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- Title
Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo<sub>2</sub>Fe<sub>2</sub>O<sub>7</sub>.
- Authors
Reim, J. D.; Rosén, E.; Schweika, W.; Meven, M.; Leo, N. R.; Meier, D.; Fiebig, M.; Schmidt, M.; Kuo, C.-Y.; Pi, T.-W.; Hu, Z.; Valldor, M.
- 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.
- Subjects
CRYSTAL growth; NEUTRON diffraction; NEUTRON diffraction crystallography; X-ray diffraction; ANTIFERROMAGNETISM
- Publication
Journal of Applied Crystallography, 2014, Vol 47, Issue 6, p2038
- ISSN
0021-8898
- Publication type
Article
- DOI
10.1107/S1600576714023528