New layered materials: Syntheses, structures, and optical and magnetic properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3

Qiang Huang Fu Qiang Huang, K. Mitchell, James A Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

116 Scopus citations


Four new quaternary selenides CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3 have been synthesized with the use of traditional high-temperature solid-state experimental methods. These compounds are isostructural with KZrCuS3, crystallizing with four formula units in the orthorhombic space group Cmcm. Cell constants (Å) at 153 K are CsGdZnSe3 4.1684(7), 15.765(3), 11.0089(18), CsZrCuSe3 3.903(2), 15.841(10), 10.215(6), CsUCuSe3 4.1443(7), 15.786(3), 10.7188(18); and BaGdCuSe3 4.1839(6), 13.8935(19), 10.6692(15). The structure of these ALnMSe3 compounds (A = Cs, Ba, Ln = Zr, Gd, U; M = Cu, Zn) is composed of 2[LnMSe3 n-] (n = 1, 2) layers separated by A atoms. The Ln atom is octahedrally coordinated to six Se atoms, the M atom is tetrahedrally coordinated to four Se atoms, and the A atom is coordinated to a bicapped trigonal prism of eight Se atoms. Because there are no Se-Se bonds in the structure, the oxidation state of A is 1+ (Cs) or 2+ (Ba), that of Ln is 3+ (Gd) or 4+ (Zr, U), and that of M is 1+ (Cu) or 2+ (Zn). CsGdZnSe3 and BaGdCuSe3, which are paramagnetic, obey the Curie-Weiss law and have effective magnetic moments of 7.87(6) and 7.85(5) μB for Gd3+, in good agreement with the theoretical value of 7.94 μB. Optical transitions at 1.88 and 2.92 eV for CsGdZnSe3 and 1.96 eV for BaGdCuSe3 were deduced from diffuse reflectance spectra.

Original languageEnglish (US)
Pages (from-to)5123-5126
Number of pages4
JournalInorganic Chemistry
Issue number20
StatePublished - Sep 24 2001

ASJC Scopus subject areas

  • Inorganic Chemistry

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