Single crystals of two novel shchurovskyite-related compounds, K2Cu[Cu3O]2 (PO4 )4 (1) and K2.35Cu0.825 [Cu3O]2 (PO4 )4 (2), were synthesized by crystallization from gaseous phase and structurally characterized using single-crystal X-ray diffraction analysis. The crystal structures of both compounds are based upon similar Cu-based layers, formed by rods of the [O2Cu6 ] dimers of oxocentered (OCu4 ) tetrahedra. The topologies of the layers show both similarities and differences from the shchurovskyite-type layers. The layers are connected in different fashions via additional Cu atoms located in the interlayer, in contrast to shchurovskyite, where the layers are linked by Ca2+ cations. The structures of the shchurovskyite family are characterized using information-based structural complexity measures, which demonstrate that the crystal structure of 1 is the simplest one, whereas that of 2 is the most complex in the family.

Original languageEnglish
Article number807
Number of pages13
Issue number7
StatePublished - 11 Jul 2021

    Research areas

  • Crystal structure, Oxocentered tetrahedra, Shchurovskyite, Synthesis, X-ray diffraction, synthesis, oxocentered tetrahedra, MINERALS, STEREOCHEMISTRY, shchurovskyite, COPPER, VESIGNIEITE, COMPLEXITY, crystal structure, MAGNETIC-PROPERTIES, CHAINS

    Scopus subject areas

  • Condensed Matter Physics
  • Chemical Engineering(all)
  • Materials Science(all)
  • Inorganic Chemistry

ID: 88647477