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Related Experiment Video

Updated: Nov 3, 2025

Synthesis and Characterization of Functionalized Metal-organic Frameworks

Synthesis and Characterization of Functionalized Metal-organic Frameworks

Published on: September 5, 2014

Structural Evolution in BiNbO₄.

Chuying Yu^1,2, Giuseppe Viola³, Dou Zhang⁴

¹School of Engineering and Materials Science, Queen Mary University of London, Mile End Road, London E1 4NS, United Kingdom.

Inorganic Chemistry

|June 1, 2021

Summary

This summary is machine-generated.

Bismuth niobate (BiNbO4) phase transitions were clarified using thermal analysis and neutron diffraction. Subtle transitions at ~350 and 600 °C in the alpha-phase suggest potential ferroelectric behavior.

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Area of Science:

Materials Science
Solid-State Chemistry
Crystallography

Background:

Bismuth niobate (BiNbO4) exhibits complex phase behavior critical for its dielectric properties.
Understanding its polymorphs (α, β, γ) and their transitions is essential for material applications.

Purpose of the Study:

To thoroughly investigate and clarify the sequence of phase transitions in BiNbO4.
To determine the stability of different BiNbO4 polymorphs and their structural relationships.
To identify subtle phase transitions within the α-BiNbO4 phase.

Main Methods:

High-resolution neutron diffraction at variable temperatures.
Thermal analysis (thermoanalytical data).
Raman spectroscopy.
Density functional theory (DFT) calculations.

Main Results:

The β-phase of BiNbO4 is proposed as metastable, with α and γ phases stable below and above 1040 °C, respectively.
Accurate oxygen positional parameters for α, β, and γ polymorphs were determined.
Two subtle transitions in α-BiNbO4 at ~350 °C and ~600 °C were identified, correlating with phonon mode changes and thermoanalytical data.

Conclusions:

The study clarifies the phase transitions and structural relationships in BiNbO4 polymorphs.
The identified subtle transitions in α-BiNbO4 may indicate previously proposed antiferroelectric-to-ferroelectric and ferroelectric-to-paraelectric transitions.
The findings provide a deeper understanding of BiNbO4's structural and dielectric properties.