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Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo2Fe2O7

Reim, J. D.; Rosen, E.; Schweika, Werner LU ; Meven, M.; Leo, N. R.; Meier, D.; Fiebig, M.; Schmidt, M.; Kuo, C-Y and Pi, T-W, et al. (2014) In Journal of Applied Crystallography 47. p.2038-2047
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... (More)
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. (Less)
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publication status
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Journal of Applied Crystallography
volume
47
pages
2038 - 2047
publisher
Wiley-Blackwell
external identifiers
  • wos:000345877900027
  • scopus:84913555666
ISSN
1600-5767
DOI
10.1107/S1600576714023528
language
English
LU publication?
yes
id
194373e0-f200-444f-a999-af4e8015cb60 (old id 4957551)
date added to LUP
2015-01-28 15:56:07
date last changed
2017-09-17 03:25:19
@article{194373e0-f200-444f-a999-af4e8015cb60,
  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.},
  author       = {Reim, J. D. and Rosen, E. and Schweika, Werner and Meven, M. and Leo, N. R. and Meier, D. and Fiebig, M. and Schmidt, M. and Kuo, C-Y and Pi, T-W and Hu, Z. and Valldor, M.},
  issn         = {1600-5767},
  language     = {eng},
  pages        = {2038--2047},
  publisher    = {Wiley-Blackwell},
  series       = {Journal of Applied Crystallography},
  title        = {Structural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo2Fe2O7},
  url          = {http://dx.doi.org/10.1107/S1600576714023528},
  volume       = {47},
  year         = {2014},
}