Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K2Cu(SO4)2·6H2O
Darren C Peets1, Maxim Avdeev2,3, Marein C Rahn1
1Institut für Festkörper- und Materialphysik, Technische Universität Dresden, 01069 Dresden, Germany.
Abstract:
The rare mineral cyanochroite, K2Cu(SO4)2·6H2O, features isolated Cu2+ ions in distorted octahedral coordination, linked via a hydrogen-bond network. We have grown single crystals of cyanochroite as large as ∼0.5 cm3 and investigated structural and magnetic aspects of this material. The positions of hydrogen atoms deviate significantly from those reported previously based on X-ray diffraction data, whereas the magnetic response is fully consistent with free Cu2+ spins. The structure is not changed by deuteration. Density functional theory calculations support our refined hydrogen positions.
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