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Structures of Na0.74WO3.

C N W Darlington¹, J A Hriljac, K S Knight

¹School of Physics and Astronomy, University of Birmingham, Birmingham B15 2TT, England. c.n.w.darlington@bham.ac.uk

Acta Crystallographica. Section B, Structural Science

|October 31, 2003

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This study refines the crystal structures of sodium tungstate (Na(0.74)WO(3)) across four temperature phases. It confirms a specific sequence of octahedral tilts in perovskite structures, revealing new details about low-temperature phases.

Area of Science:

Solid-state chemistry
Crystallography
Materials science

Background:

Sodium tungstate (Na(0.74)WO(3)) exhibits complex structural behavior with temperature changes.
Perovskite structures are known for their diverse phases and potential applications.
Understanding structural transitions is crucial for materials design.

Purpose of the Study:

To refine and characterize the crystal structures of Na(0.74)WO(3) across its four temperature-dependent phases.
To confirm the proposed sequence of octahedral tilt systems in the perovskite structure.
To investigate the condensed modes of vibration in low-temperature phases.

Main Methods:

Powder diffraction patterns were collected using the high-resolution powder diffractometer (HRPD) at ISIS.

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Structural refinements were performed on the collected diffraction data.

Glazer's notation was used to describe the octahedral tilt systems.

Main Results:

The study identified four distinct structural phases of Na(0.74)WO(3) as a function of temperature.
The sequence of octahedral tilt systems was confirmed as a+a+a+ (293K) -> a+a+a0 (343K) -> a0a0a+ (430K) -> a0a0a0.
This research presents the first reported structure determination for a perovskite with the a+a+a0 tilt system.

Conclusions:

The structural refinements validate the temperature-induced phase transitions in Na(0.74)WO(3).
The findings provide detailed insights into the octahedral dynamics within perovskite structures.
This work contributes to the understanding of structure-property relationships in tungstate materials.