Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K2Cu(SO4)2·6H2O

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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.


Original languageEnglish
Pages (from-to)5139-5145
Number of pages7
JournalACS omega
Issue number6
Publication statusPublished - 15 Feb 2022

External IDs

Scopus 85124629699
PubMed 35187329
Mendeley f03aa1c6-9646-326d-a625-f711c81ddf82
WOS 000757841400001