Browsing by Author "Granovsky, S"

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    Crystal growth, structure, and noninteracting quantum spins in cyanochroite, K2Cu(SO4)2·6H2O
    (American Chemical Society, 2022-02-15) Peets, DC; Avdeev, M; Rahn, MC; Pabst, F; Granovsky, S; Stötzer, M; Inosov, DS
    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. © 2022 The Authors. CC-BY 4.0