The superstructure of KCuCe2Se6 due to ordering of copper cations

Y. Klawitter*, C. Näther, I. Jeß, W. Bensch, M. G. Kanatzidis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

10 Scopus citations


The quaternary compound KCuCe2Se6 was obtained as black needlelike crystals by reacting a mixture of K2Se, Cu, Ce and Se in a 2:1:1:8 ratio at 450°C. The compound crystallizes in the orthorhombic space group Fddd with a = 8.5907(5), b = 11.3962(8) and c = 44.490(3) Å which is a superstructure of the already published structure of KCuCe2Se6 which was described in space group Immm. The Ce3+ ions are in bicapped distorted trigonal prismatic coordination of Se atoms and the Cu+ ions are in tetrahedral environment. The prisms are connected via triangular faces forming rods parallel to the crystallographic a axis. These rods are joined by one capping Se atom and one Se center of the triangular faces thus leading to the formation of anionic layers [CuCe2Se6]nn- within the ab plane. The Cu+ ions occupy only one half of the tetrahedral sites in an ordered fashion in contrast to the statistical occupation reported for the substructure. The charge balancing K+ ions are located between the anionic layers.

Original languageEnglish (US)
Pages (from-to)421-431
Number of pages11
JournalSolid State Sciences
Issue number6
StatePublished - 1999

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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