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Chemical Vapor Deposition of an Organic Magnet, Vanadium Tetracyanoethylene

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C-type Nd(2)Se(3).

Christof Schneck¹, Patrick Höss, Thomas Schleid

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

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

Neodymium sesquiselenide, a rare-earth metal(III) selenide, exhibits a cation-defective Th₃P₄-type structure. This study details its crystallographic arrangement and coordination environment, contributing to rare-earth compound knowledge.

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Area of Science:

Inorganic Chemistry
Solid-State Chemistry
Crystallography

Background:

Rare-earth metal(III) selenides (M₂Se₃) commonly adopt the cubic C-type structure.
Neodymium sesquiselenide (Nd₂Se₃) is a member of this family, necessitating detailed structural characterization.

Purpose of the Study:

To elucidate the crystal structure of neodymium sesquiselenide.
To determine the cation occupancy and coordination environment within the neodymium sesquiselenide lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to analyze the crystal structure.
Analysis of crystallographic data to determine atomic positions and site occupancies.

Main Results:

Neodymium sesquiselenide crystallizes in a cation-defective Th₃P₄-type structure.
The unique neodymium-cation site is occupied at approximately 8/9, leading to the formula Nd₂.₆₆₇Se₄.
Nd³⁺ cations display dodecahedral coordination, while Se²⁻ anions show statistical coordination due to cation under-occupation.

Conclusions:

The crystal structure of neodymium sesquiselenide is confirmed as a cation-defective Th₃P₄-type arrangement.
The findings provide insights into the structural variations and coordination chemistry of rare-earth selenides.