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Molecular-Scale Analysis of Barium Azide (Ba(N3)2) Under High Pressure: A Synchrotron X-Ray Diffraction Study on
Xiaoxin Wu1, Wenhui Jiang1, Jinwei Zhang1
1Key Laboratory of Functional Materials Physics and Chemistry (Ministry of Education), College of Physics, Jilin Normal University, Changchun 130103, China.
Barium azide (Ba(N3)2) exhibits anisotropic compression and undergoes phase transitions under high pressure. Azide ion dynamics significantly influence its structural stability, impacting its use in synthesizing polymeric nitrogen.
Area of Science:
- Materials Science
- Solid State Physics
- Inorganic Chemistry
Background:
- Barium azide (Ba(N3)2) is a divalent azide with potential applications.
- Understanding its high-pressure behavior is crucial for materials science and synthesis.
Purpose of the Study:
- To investigate the high-pressure behavior and phase transitions of barium azide.
- To elucidate the role of azide ion dynamics in structural stability.
Main Methods:
- Synchrotron X-ray diffraction was employed to study Ba(N3)2 up to 28 GPa.
- Analysis of crystal structure and compressibility under varying pressures.
Main Results:
- Ba(N3)2 shows anisotropic compression (b > a > c) due to azide ion arrangement.
- A reversible monoclinic-to-monoclinic phase transition occurs at 2.6 GPa.
- A potential secondary transition was observed above 11.8 GPa.
Conclusions:
- Azide ion dynamics are key to the structural stability and phase evolution of barium azide.
- Findings have implications for using barium azide as a precursor for polymeric nitrogen synthesis.
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