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KCaEr2CuS5: A new pentanary rare-earth layered chalcogenide without substitutional disorder

MPS-Authors
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Zeng,  H. Y.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Mattausch,  Hj.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons280526

Simon,  A.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons280075

Huang,  J. S.
Research Group Solid State Nanophysics (Jurgen H. Smet), Max Planck Institute for Solid State Research, Max Planck Society;
Abteilung v. Klitzing, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Zeng, H. Y., Mattausch, H., Simon, A., Zheng, F. K., Dong, Z. C., Guo, G. C., et al. (2006). KCaEr2CuS5: A new pentanary rare-earth layered chalcogenide without substitutional disorder. Inorganic Chemistry, 45(19), 7943-7946.


Cite as: https://hdl.handle.net/21.11116/0000-000E-FB39-8
Abstract
A new pentanary rare-earth chalcogenide without substitutional
disorder, KCaEr2CuS5, was obtained from reaction of the Er-Ca-Cu-S
precursor with KBr flux by either a two-step flux method or a direct
reaction of the mixture of the binary components (1Cu(2)S: 2Er(2)S(3):
3CaS) with excess KBr as flux. KCaEr2CuS5 crystallizes in the
orthorhombic space group Cmcm(No. 63) with a = 3.9327(5) angstrom, b =
13.410(2)angstrom, c = 17.042(2) angstrom, V = 898.8(3) angstrom(3), Z
= 4, R = 0.0632, and R-w = 0.0627. The KCaEr2CuS5 structure consists of
four different building units: ErS6 octahedra, CaS6 octahedra, CuS4
tetrahedra, and KS6 trigonal prisms; it is characterized by
(2)(infinity)[Er2CuS5](3-) layers that are formed by the
interconnection of double ErS6 octahedral chains with CuS4 tetrahedral
chains in the a-c plane. K+ and Ca2+ cations are located in the
cavities defined by S2- anions between the (2)(infinity)[Er2CuS5](3-)
layers. KCaEr2CuS5 is a semiconductor with an estimated band gap of 2.4
eV and shows a Curie-Weiss paramagnetic behavior in the 5-300 K range.