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000173280 1001_ $$aRosén, E.$$b0
000173280 245__ $$aStructural invariance upon antiferromagnetic ordering in geometrically frustrated swedenborgite, CaBaCo 2 Fe 2 O 7
000173280 260__ $$aCopenhagen$$bMunksgaard$$c2014
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000173280 520__ $$aCentimetre-sized single crystals of high-quality CaBaCo2Fe2O7 were synthesized by the optical floating zone technique. The metal-to-metal stoichiometry and oxygen content were confirmed by spectroscopy and thermal reduction experiments. The hexagonal symmetry P63mc (No. 186) well describes the powder X-ray and neutron diffraction as well as single-crystal neutron diffraction at all measured temperatures. This symmetry is also consistent with optical second harmonic generation data obtained between 10 and 295 K. However, a satisfactory structure description from single-crystal neutron diffraction data needs an oxygen split position. Specific heat, magnetic susceptibility and powder neutron diffraction data indicate a magnetic phase transition at TN = 159 K to an antiferromagnetic ground state, but with a persisting hexagonal symmetry and intrinsic geometric frustration.
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000173280 7001_ $$0P:(DE-HGF)0$$aMeier, D.$$b4
000173280 7001_ $$0P:(DE-HGF)0$$aFiebig, M.$$b5
000173280 7001_ $$0P:(DE-HGF)0$$aKuo, C.-Y.$$b6
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000173280 7001_ $$0P:(DE-HGF)0$$aHu, Z.$$b8
000173280 7001_ $$0P:(DE-HGF)0$$aValldor, M.$$b9
000173280 7001_ $$0P:(DE-Juel1)142282$$aReim, Johannes$$b10
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000173280 773__ $$0PERI:(DE-600)2020879-0$$a10.1107/S1600576714023528$$gVol. 47, no. 6, p. 2038 - 2047$$n6$$p2038 - 2047$$tJournal of applied crystallography$$v47$$x1600-5767$$y2014
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