Acta Crystallographica Section C

Volume 65, Part 9 (September 2009)

inorganic compounds

 

BaLn₂Se₄ (Ln = Er, Tm and Yb)

D. E. Bugaris and J. A. Ibers

Abstract: The compounds BaLn₂Se₄ (Ln = rare-earth metal = lanthanide = Er, Tm and Yb), namely barium di(erbium/thulium/ytterbium) tetraselenide, crystallize in the orthorhombic space group Pnma in the CaFe₂O₄ structure type. In this structure type, all atoms possess m symmetry. The Ln atoms are octahedrally coordinated by six Se atoms. A three-dimensional channel structure is formed by the corner- and edge-sharing of these LnSe₆ octahedra. The Ba atoms are coordinated to eight Se atoms in a bicapped trigonal-prismatic arrangement, and they occupy the channels of the three-dimensional framework.

Formula: BaEr₂Se₄, BaTm₂Se₄ and BaYb₂Se₄

	Structure factor file (CIF format) (51.4 kbytes) [ doi:10.1107/S0108270109030571/sq3208Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (53.1 kbytes) [ doi:10.1107/S0108270109030571/sq3208IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (52.4 kbytes) [ doi:10.1107/S0108270109030571/sq3208IIIsup4.hkl ] Contains datablock III

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