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.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:91611 |
| Date | 04 June 2024 |
| Creators | Peets, Darren C., Avdeev, Maxim, Rahn, Marein C., Pabst, Falk, Granovsky, Sergey, Stötzer, Markus, Inosov, Dmytro S. |
| Publisher | ACS Publications |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | info:eu-repo/semantics/publishedVersion, doc-type:article, info:eu-repo/semantics/article, doc-type:Text |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | 2470-1343, 10.1021/acsomega.1c06143, info:eu-repo/grantAgreement/Deutsche Forschungsgemeinschaft/SFB 1143: Korrelierter Magnetismus: Von Frustration zu Topologie/247310070//Collaborative Research Center/CRC, info:eu-repo/grantAgreement/Deutsche Forschungsgemeinschaft/Exzellenzcluster (ExStra)/390858490//EXC 2147 : Komplexität und Topologie in Quantenmaterialien (CT.QMAT), info:eu-repo/grantAgreement/Deutsche Forschungsgemeinschaft/GRK 1621: Itineranter Magnetismus und Supraleitung in intermetallischen Verbindungen/129760637/ |
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