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Defect rocksalt structures in the La-Na-N system.

Yao Yuan1, Simon D Kloß2, J Paul Attfield1

  • 1Centre for Science at Extreme Conditions and School of Chemistry, University of Edinburgh, Peter Guthrie Tait Road, Edinburgh EH9 3FD, UK.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|August 27, 2023
PubMed
Summary
This summary is machine-generated.

Sodium azide reacts with lanthanum nitride under high pressure to form novel defect rocksalt nitrides. These findings expand the known La-Na-N ternary system, revealing potential for new materials synthesis.

Keywords:
high-pressure chemistrynitridesstructure elucidation

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • High-Pressure Synthesis

Background:

  • Sodium azide (NaN₃) is a key nitrogen source for synthesizing novel nitrides.
  • High-pressure and high-temperature conditions are crucial for exploring new material phases.

Purpose of the Study:

  • To investigate the La-Na-N ternary system under high-pressure conditions.
  • To synthesize and characterize new nitride phases using sodium azide as a nitrogen source.

Main Methods:

  • High-pressure and high-temperature reactions between lanthanum nitride and sodium azide.
  • Powder X-ray diffraction (PXRD) for preliminary structure determination.

Main Results:

  • Discovery of two novel defect rocksalt phases in the La-Na-N system.
  • Characterization of La₁₋ₓNaₓN with varying sodium content, showing tetragonal and cubic structures.
  • Identification of a coexisting cubic phase tentatively assigned as 'NaN₁/₃' stabilized by lanthanum.

Conclusions:

  • The high-pressure La-Na-N phase diagram is rich in defect rocksalt materials.
  • Further studies, including neutron diffraction, are needed for definitive structure confirmation.
  • This research opens avenues for synthesizing complex nitrides under extreme conditions.