Universität zu Köln

Reim, J. D., Rosen, E., Schweika, W., Meven, M., Leo, N. R., Meier, D., Fiebig, M., Schmidt, M., Kuo, C-Y, Pi, T-W, Hu, Z. and Valldor, M. (2014). Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo2Fe2O7. J. Appl. Crystallogr., 47. S. 2038 - 2048. HOBOKEN: WILEY-BLACKWELL. ISSN 1600-5767

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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 P6(3)mc (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 T-N = 159 K to an antiferromagnetic ground state, but with a persisting hexagonal symmetry and intrinsic geometric frustration.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Reim, J. D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Rosen, E. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schweika, W. UNSPECIFIED UNSPECIFIED UNSPECIFIED Meven, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Leo, N. R. UNSPECIFIED UNSPECIFIED UNSPECIFIED Meier, D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Fiebig, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Schmidt, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Kuo, C-Y UNSPECIFIED UNSPECIFIED UNSPECIFIED Pi, T-W UNSPECIFIED UNSPECIFIED UNSPECIFIED Hu, Z. UNSPECIFIED UNSPECIFIED UNSPECIFIED Valldor, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-421590
DOI:	10.1107/S1600576714023528
Journal or Publication Title:	J. Appl. Crystallogr.
Volume:	47
Page Range:	S. 2038 - 2048
Date:	2014
Publisher:	WILEY-BLACKWELL
Place of Publication:	HOBOKEN
ISSN:	1600-5767
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language MAGNETIC-PROPERTIES; T-C; YBACO4O7+DELTA; CRYSTALS; COBALTITES; FERRITES; SERIES; X=0 Multiple languages Chemistry, Multidisciplinary; Crystallography Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/42159