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Barium dierbium(III) tetra-sulfide.

Adel Mesbah¹, Wojciech Stojko, James A Ibers

¹Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113, USA.

Acta Crystallographica. Section E, Structure Reports Online

|March 12, 2013

Summary

Barium dierbium(III) tetra-sulfide (BaEr2S4) crystallizes in an orthorhombic structure. This study details its crystal structure, revealing channels of ErS6 octahedra housing Ba atoms in a bicapped trigonal prism coordination.

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Area of Science:

Inorganic Chemistry
Solid-State Chemistry
Crystallography

Background:

Understanding the crystal structures of ternary sulfides is crucial for discovering new materials with unique properties.
Barium dierbium(III) tetra-sulfide (BaEr2S4) is a ternary rare-earth metal sulfide with potential applications in materials science.

Purpose of the Study:

To determine and describe the crystal structure of Barium dierbium(III) tetra-sulfide (BaEr2S4).
To elucidate the coordination environment of the barium and dierbium ions within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to analyze the crystal structure of BaEr2S4.
The crystallographic data were processed to determine the space group, unit cell parameters, and atomic positions.

Main Results:

BaEr2S4 crystallizes in the orthorhombic space group Pnma, adopting the CaFe2O4 structure type.
The asymmetric unit contains two dierbium (Er) atoms, one barium (Ba) atom, and four sulfur (S) atoms.
The structure features channels formed by corner- and edge-sharing ErS6 octahedra, with Ba atoms occupying these channels.
Barium atoms exhibit a coordination number of 8, with a bicapped trigonal prism geometry.

Conclusions:

The detailed crystal structure of BaEr2S4 has been established.
The arrangement of ErS6 octahedra and the coordination of Ba ions provide insights into the bonding and stability of this ternary sulfide.