Crystal Growth, Structure, and Noninteracting Quantum Spins in Cyanochroite, K 2 Cu(SO 4 ) 2 ·6H 2 O.

Authors :: Peets DC
Avdeev M
Rahn MC
Pabst F
Granovsky S
Stötzer M
Inosov DS
Source :: ACS omega [ACS Omega] 2022 Feb 02; Vol. 7 (6), pp. 5139-5145. Date of Electronic Publication: 2022 Feb 02 (Print Publication: 2022).
Publication Year :: 2022
Abstract: The rare mineral cyanochroite, K <subscript>2</subscript> Cu(SO <subscript>4</subscript> ) <subscript>2</subscript> ·6H <subscript>2</subscript> O, features isolated Cu <superscript>2+</superscript> ions in distorted octahedral coordination, linked via a hydrogen-bond network. We have grown single crystals of cyanochroite as large as ∼0.5 cm <superscript>3</superscript> 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 Cu <superscript>2+</superscript> spins. The structure is not changed by deuteration. Density functional theory calculations support our refined hydrogen positions.<br />Competing Interests: The authors declare no competing financial interest.<br /> (© 2022 The Authors. Published by American Chemical Society.)

Full Text Access

Tools