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Julian R Tolchard¹, Marie-Laure Fontaine, Tor Grande

¹Department of Materials Science and Engineering, Norwegian University of Science and Technology, NTNU, Sem Saelands Vei 12, Trondheim 7491, Norway.

Acta Crystallographica. Section C, Crystal Structure Communications

|April 7, 2009

Summary

This summary is machine-generated.

Researchers synthesized lanthanum nickel niobium trioxide, a novel double perovskite. Its unique crystal structure features cation ordering and specific tilting of its structural units, offering new insights into materials science.

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Area of Science:

Materials Science
Solid-State Chemistry
Crystallography

Background:

Double perovskites are a class of materials with significant technological applications.
Understanding the crystal structure of novel double perovskites is crucial for predicting and optimizing their properties.
Lanthanum nickel niobium trioxide (LaNiNbO3) has not been previously synthesized or structurally characterized.

Purpose of the Study:

To synthesize lanthanum nickel niobium trioxide for the first time.
To determine and refine the crystal structure of this new double perovskite.
To investigate the cation ordering and structural distortions within the synthesized material.

Main Methods:

Single-crystal X-ray diffraction was employed for structure determination and refinement.
Analysis of crystallographic data to identify space group, atomic positions, and cation distribution.
Characterization of structural features such as cation ordering and oxygen octahedra tilting.

Main Results:

Lanthanum nickel niobium trioxide was successfully synthesized and its structure refined.
The material crystallizes in the monoclinic space group P2(1)/n, exhibiting strong orthorhombic pseudosymmetry.
A 1:1 ordering of nickel and niobium on the B-sites was observed, along with a(-)a(-)c(+)-type tilting of the (Ni/Nb)O(6) octahedra.

Conclusions:

The first structural characterization of lanthanum nickel niobium trioxide provides fundamental data for this double perovskite.
The observed cation ordering and octahedral tilting are key features influencing the material's properties.
This study contributes to the understanding of structure-property relationships in the technologically important double perovskite family.