Crystal structure and magnetism of the iridium(IV) complex compounds Na2IrCl6 and Na2IrCl6*6D2O
M2[IrCl6] (M = Li, Na, K, Rb, Cs, NH4) and their hydrates have raised interest recently as spin-orbital-induced semiconductors with hydration-dependent structural and magnetic variations. Na2IrCl6*6H2O is a red-brown solid and is paramagnetic down to 2 K. The crystal structure is known except for hydrogen positions. The water-free Na2IrCl6 is described as canted antiferromagnet (weak ferromagnet) at low temperatures (TN = 2.7 K), but may also be ferrimagnetic. Neutron diffraction is well-suited to distinguish between the two alternative explanations. The aim of this study is to determine deuterium positions in Na2IrCl6*6D2O, follow the formation of Na2IrCl6 by D2O loss upon heating and the development of magnetic ordering upon cooling Na2IrCl6 to 2 K.
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Holger Kohlmann; Claire V. Colin; Thomas C. Hansen; Arjun Nain; NASSIF Vivian and PUENTE ORENCH Ines. (2021). Crystal structure and magnetism of the iridium(IV) complex compounds Na2IrCl6 and Na2IrCl6*6D2O. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-21-1174
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