What is it about?
The Na6O octahedral tilts in the Na3OCl are produced which has lead to the lowest energy phase. The cubic phase of Na3OCl is dynamically unstable while the one with octahedral tilt is stable.
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Why is it important?
Na3OCl can be used as a solid state electrolyte in the Na ion batteries but its stable structure was not known before this paper published.
Perspectives
This paper brings a comprehensive study on the structural stability of the Na3OCl.
Dr. Abdus Samad
University of Ulsan
Read the Original
This page is a summary of: Computational predictions of stable phase for antiperovskite Na 3OCl via tilting of Na 6O octahedra, Journal of Applied Physics, October 2018, American Institute of Physics,
DOI: 10.1063/1.5047833.
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