New quaternary chalcogenides balnmq3 (ln = rare earth or sc; m = cu, ag; q= s, se). ii. structure and property variation vs rare-earth element

Ping Wu, Amy E. Christuk, James A. Ibers

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66 Scopus citations


Some new quaternary compounds of the type BaLnMQ3 (Ln = rare earth or Sc; M = Cu, Ag; Q = S, Se) have been synthesized by the reaction of the constituent binary chalcogenides and elements at 1000°C. The crystal structures of two of these compounds have been determined by single-crystal X-ray diffraction techniques and are isostructural. Crystal data: BaErCuS3-space group D172h -Cmcm, M= 464.32, Z = 4, a = 3.987(1), b = 13.377(3), c = 10.101(2) Å (T = 115 K), V = 538.7(4) Å3, Rw (F2) = 0.095 for 848 observations and 24 variables, R(F) = 0.037 for 840 observations having F20 > 2σ (F20); BaYAgSe-space group D172h -Cmcm, M = 571.0, Z = 4, a = 4.239(1), b = 14.030(2), c = 10.636(2) Å (T = 115 K), V = 632.6(2) Å3, Rw (F2) = 0.057 for 645 observations and 24 variables, R(F) = 0.023 for 595 observations having F20 > 2σ(F20). These two compounds adopt the layered KZrCuS3 structure type. The layers, which are separated by Ba2+ ions, consist of edge-sharing octahedral chains and corner-sharing tetrahedral chains. The other compounds synthesized crystallize either with this same structure or with that of β-BaLaCuSe3, a slightly distorted variation, which is isostructural with Eu2CuS3. The diffuse reflective UV-visible spectra of several of these compounds have been measured. From magnetic susceptibility measurements, both BaNdCuS3 and BaGdCuS3 show Curie-Weiss behavior, whereas BaCeCuS3 and BaCeCuSe3 show in addition temperature-independent paramagnetism.

Original languageEnglish (US)
Pages (from-to)337-344
Number of pages8
JournalJournal of Solid State Chemistry
Issue number2
StatePublished - Jun 1994

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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