The superstructure of KCuCe2Se6 due to ordering of copper cations

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

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

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]n n- 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
Pages (from-to)421-431
Number of pages11
JournalSolid State Sciences
Volume1
Issue number6
Publication statusPublished - Aug 1999

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Cations
Copper
Positive ions
Ions
cations
copper
ions
rods
Atoms
Prisms
substructures
occupation
prisms
atoms
Crystals
crystals

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

Cite this

Klawitter, Y., Näther, C., Jeß, I., Bensch, W., & Kanatzidis, M. G. (1999). The superstructure of KCuCe2Se6 due to ordering of copper cations. Solid State Sciences, 1(6), 421-431.

The superstructure of KCuCe2Se6 due to ordering of copper cations. / Klawitter, Y.; Näther, C.; Jeß, I.; Bensch, W.; Kanatzidis, Mercouri G.

In: Solid State Sciences, Vol. 1, No. 6, 08.1999, p. 421-431.

Research output: Contribution to journalArticle

Klawitter, Y, Näther, C, Jeß, I, Bensch, W & Kanatzidis, MG 1999, 'The superstructure of KCuCe2Se6 due to ordering of copper cations', Solid State Sciences, vol. 1, no. 6, pp. 421-431.
Klawitter Y, Näther C, Jeß I, Bensch W, Kanatzidis MG. The superstructure of KCuCe2Se6 due to ordering of copper cations. Solid State Sciences. 1999 Aug;1(6):421-431.
Klawitter, Y. ; Näther, C. ; Jeß, I. ; Bensch, W. ; Kanatzidis, Mercouri G. / The superstructure of KCuCe2Se6 due to ordering of copper cations. In: Solid State Sciences. 1999 ; Vol. 1, No. 6. pp. 421-431.
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N2 - 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]n n- 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.

AB - 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]n n- 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.

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