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Previously, we reported that inorganic–organic hybrid (C6H5CH2CH2NH3)2MnCl4 (Mn-PEA) is antiferromagnetic below 44 K by using magnetic susceptibility and neutron diffraction measurements. Generally, when an antiferromagnetic system is investigated by the neutron diffraction method, half-integer forbidden peaks, which indicate an enlargement of the magnetic cell compared to the chemical cell, should be present. However, in the case of the title compound, integer forbidden peaks are observed, suggesting that the size of the magnetic cell is the same as that of the chemical cell. This phenomenon was until now only theoretically predicted. During our former study, using an irreducible representation method, we suggested that four spin arrangements could be possible candidates and a magnetic cell and chemical cell should coincide. Recently, a magnetic structure analysis employing a magnetic space group has been developed. To confirm our former result by the representation method, in this work we employed a magnetic space group concept, and from this analysis, we show that the magnetic cell must coincide with the nuclear cell because only the Black–White 1 group (equi-translation or same translation group) is possible.

Magnetic Structure of Inorganic–Organic Hybrid (C6H5CH2CH2NH3)2MnCl4 Using Magnetic Space Group Concept