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${\mathrm{Cs}}_{2}{\mathrm{FeCl}}_{5}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathrm{D}}_{2}\mathrm{O}$ has been identified as a linear magnetoelectric material, although the correlation of this property with the magnetic structures of this compound has not been adequately studied. We have used single-crystal and powder neutron diffraction to obtain detailed information about its nuclear and magnetic structures. From the nuclear structure analysis, we describe the occurrence of a phase transition related to the reorganization of the ${[\mathrm{FeCl}}_{5}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathrm{D}}_{2}{\mathrm{O}]}^{\ensuremath{-}2}$ ions and the ${\mathrm{Cs}}^{+}$ counterion. The magnetic structure was determined at zero magnetic field at 1.8 K using single-crystal diffraction and its temperature evolution was recorded using powder diffraction. The symmetry analysis of the magnetic structure is compatible with the occurrence of the magnetoelectric effect. Moreover, the evolution of the magnetic structure as a function of the external magnetic field has also been studied. The reorientation of the magnetic moments under applied external field along the easy axis ($b$ axis at low temperature) is compatible with the occurrence of a spin-flop transition. The application of a magnetic field below ${T}_{N}$ compels the magnetic moments to flip from the $b$ axis to the $ac$ plane (with a small induced component along the $b$ axis), for a critical magnetic field of ca. 1.2 T.

physical review. b./physical review. b

Origin of the magnetoelectric effect in the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Cs</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>FeCl</mml:mi><mml:mn>5</mml:mn></mml:msub><mml:mo>·</mml:mo><mml:msub><mml:mi mathvariant="normal">D</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">O</mml:mi></mml:mrow></mml:math> compound

Origin of the magnetoelectric effect in the Cs2FeCl5·D2O compound