Experimental and Theoretical Study of SbPO₄ under Compression.

Area of Science:

• Materials Science
• Solid-State Chemistry
• Crystallography

Background:

• SbPO4 is a monoclinic layered material with a notable antimony lone electron pair (LEP).
• Its layered structure is formed by Sb atoms in 4-fold coordination with O, linked by weak electrostatic interactions.

Purpose of the Study:

• To investigate the structural and vibrational properties of SbPO4 under high pressure.
• To understand the compression mechanisms and phase transitions in SbPO4.

Main Methods:

• Joint experimental and theoretical study.
• High-pressure investigations of structural and vibrational properties.

Main Results:

• SbPO4 is highly compressible, particularly along the a axis, due to LEP and weak Sb-O bonds.
• A transition from a 2D to a 3D material occurs above 3 GPa.
• A reversible phase transition is observed above 9 GPa, completing above 20 GPa, likely forming a triclinic structure.

Conclusions:

• SbPO4 displays significant anisotropic compression and pressure-induced structural modifications.
• Understanding its compression behavior can enhance ion intercalation and catalytic applications.