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Cs(3)Sm(7)Se(12).

Christof Schneck¹, Andreas Elbe, Christian M Schurz

¹Institut für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.

Acta Crystallographica. Section E, Structure Reports Online

|January 20, 2012

Summary

This summary is machine-generated.

Tricaesium hepta-samarium(III) dodeca-selenide establishes a new channel structure for Cs(3)M(7)Se(12) compounds. This structure, based on Z-type sesquiselenides, features samarium-centered octahedra forming a network with channels for cesium cations.

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Area of Science:

Inorganic Chemistry
Solid-State Chemistry
Crystal Engineering

Background:

The Cs(3)M(7)Se(12) series represents a class of compounds with potential channel structures.
Understanding the structural basis of these compounds is crucial for materials science.
Previous studies have explored related structures, providing a foundation for new investigations.

Purpose of the Study:

To synthesize and characterize the novel compound tricaesium hepta-samarium(III) dodeca-selenide (Cs(3)Sm(7)Se(12)).
To elucidate the crystal structure and explore the channel-forming capabilities within the Cs(3)M(7)Se(12) series.
To investigate the coordination environment and site occupancy of cations within the newly determined structure.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the precise atomic arrangement.
The crystal structure was analyzed in relation to known structure types, such as Sc(2)S(3).
Bond valence calculations and coordination environment analysis were performed.

Main Results:

The synthesis of Cs(3)Sm(7)Se(12) was successful, establishing a new member of the Cs(3)M(7)Se(12) series.
The crystal structure is based on edge- and vertex-connected [SmSe(6)](9-) octahedra, forming a [Sm(7)Se(12)](3-) network.
Channels along the [001] direction are suitable for monovalent cations (Cs+), with distinct coordination numbers (7+1 and 6).
A trigonal-prismatic coordination site for cesium shows half-occupancy, leading to a short interatomic distance.

Conclusions:

Tricaesium hepta-samarium(III) dodeca-selenide represents a significant advancement in understanding the Cs(3)M(7)Se(12) channel structure.
The structural framework provides insights into cation accommodation and potential for further functionalization.
The observed short Cs-Cs distance highlights specific packing constraints and potential for further structural refinement or related studies.