Crystal growth, structure, and noninteracting quantum spins in cyanochroite, K2Cu(SO4)2·6H2O
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Date
2022-02-15
Journal Title
Journal ISSN
Volume Title
Publisher
American Chemical Society
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. © 2022 The Authors. CC-BY 4.0
Description
Keywords
Crystal growth, Crystal structure, Copper, Hydrogen, Magnets, Quantum mechanics
Citation
Peets, D. C., Avdeev, M., Rahn, M. C., Pabst, F., Granovsky, S., Stötzer, M., & Inosov, D. S. (2022). Crystal growth, structure, and noninteracting quantum spins in cyanochroite, K2Cu(SO4)2·6H2O. ACS Omega, 7(6), 5139-5145. doi:10.1021/acsomega.1c06143