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The quinter-nary thio-phosphate Cs(0.5)Ag(0.5)Nb(2)PS(10).

Sojeong Park¹, Hoseop Yun

¹Division of Energy Systems Research and Department of Chemistry, Ajou University, Suwon 443-749, Republic of Korea.

Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

A new quinary thio-phosphate, cesium silver niobium thiophosphate (Cs(0.5)Ag(0.5)Nb(2)PS(10)), was synthesized. Its crystal structure features novel [Nb(2)PS(10)] chains linked by silver ions into 2D layers.

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Area of Science:

Solid-state chemistry
Crystallography
Materials science

Background:

Quinary thio-phosphates are complex inorganic compounds with diverse structural possibilities.
Niobium-based chalcogenides exhibit interesting electronic and magnetic properties.

Purpose of the Study:

To synthesize and characterize a novel quinary thio-phosphate compound.
To elucidate the crystal structure and bonding of Cs(0.5)Ag(0.5)Nb(2)PS(10).

Main Methods:

Synthesis from elements using a cesium chloride (CsCl) flux.
Single-crystal X-ray diffraction for structure determination.

Main Results:

The crystal structure consists of (∞)(1)[Nb(2)PS(10)] chains built from bicapped trigonal-prismatic [Nb(2)S(12)] and tetrahedral [PS(4)] units.
Chains are linked by S-Ag-S bridges forming 2D layers, with disordered Cs(+) ions in the voids.
Alternating short and long Nb-Nb distances and the presence of S(2)(2-) and S(2-) species were observed.

Conclusions:

The compound Cs(0.5)Ag(0.5)Nb(2)PS(10) represents a new structural type in quinary thio-phosphates.
The structure exhibits a unique chain-layer architecture with potential for further materials exploration.