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Complexation Equilibria: Factors Influencing Stability of Complexes

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Related Experiment Video

Updated: May 28, 2026

Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods

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Published on: October 6, 2023

Incommensurate structure of AlPO₄-5 and its stability.

Kazuki Komatsu¹, Takuji Ikeda², Tetsuya Kodaira³

¹Geochemical Research Center, Graduate School of Science, The University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo, Tokyo, 113-0033, Japan.

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials

|May 27, 2026

Summary

The incommensurate structure of Aluminum Phosphate-5 (AlPO₄-5) exhibits satellite reflections due to water desorption under vacuum. These reflections arise from correlated tetrahedral rotations, linking spatial modulations to temporal dynamics.

Keywords:

AlPO4-5 Incommensurate structure single-crystal X-ray diffraction

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Published on: May 11, 2017

Area of Science:

Solid-state chemistry
Materials science
Crystallography

Background:

Aluminum Phosphate-5 (AlPO₄-5) is known to exhibit complex structural behavior.
Understanding its incommensurate structure and stability is crucial for its applications.

Purpose of the Study:

To investigate the incommensurate structure of AlPO₄-5 and its stability.
To elucidate the origin of the observed structural modulations.

Main Methods:

Single-crystal X-ray diffraction under varying conditions (ambient, vacuum, temperature).
Raman scattering measurements focusing on O-H stretching.
Analysis of satellite reflections and systematic absences.
Refinement of positional modulation amplitudes in superspace.

Main Results:

Satellite reflections in AlPO₄-5 are enhanced by vacuum, attributed to water desorption.
These reflections disappear above 335 K and reappear upon cooling.
Analysis of a dehydrated sample revealed a (3+1)D superspace group P6(00γ)h.
Modulation originates from correlated rotational displacements of AlO₄ and PO₄ tetrahedra.

Conclusions:

The structural modulation in AlPO₄-5 is linked to correlated tetrahedral rotations.
Phonon-like motions persist over long modulation periods, causing satellite reflections.
A fundamental connection exists between spatial descriptions of incommensurate structures and temporal dynamics.