Crystal growth, structure, and noninteracting quantum spins in cyanochroite, K2Cu(SO4)2·6H2O
- 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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| Author: | Darren C. Peets, Maxim Avdeev, Marein C. RahnGND, Falk Pabst, Sergey Granovsky, Markus Stötzer, Dmytro S. Inosov |
|---|---|
| URN: | urn:nbn:de:bvb:384-opus4-1151119 |
| Frontdoor URL | https://opus.bibliothek.uni-augsburg.de/opus4/115111 |
| ISSN: | 2470-1343OPAC |
| Parent Title (English): | ACS Omega |
| Publisher: | American Chemical Society (ACS) |
| Type: | Article |
| Language: | English |
| Year of first Publication: | 2022 |
| Publishing Institution: | Universität Augsburg |
| Release Date: | 2024/09/03 |
| Volume: | 7 |
| Issue: | 6 |
| First Page: | 5139 |
| Last Page: | 5145 |
| DOI: | https://doi.org/10.1021/acsomega.1c06143 |
| Institutes: | Mathematisch-Naturwissenschaftlich-Technische Fakultät |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik | |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Experimentalphysik VI | |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Licence (German): |  CC-BY 4.0: Creative Commons: Namensnennung (mit Print on Demand) |
