| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385078 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
⺠The densification of silicates perovskite type structure (edge sharing octahedra) in Earth lower mantle gives the denser postperovskite PPV structure characterized by corner as well as edge sharing octahedra. ⺠The extension from geophysics to materials science has led to identify experimentally and theoretically many ppv oxides, nitrides, fluorides. ⺠Based on the ionic versus covalent bonding in nitrofluorides and on ppv structure of oxides, we propose potential existence of ppv nitrofluorides from energetics obtained with the accurate DFT framework. ⺠HP synthetic routes are proposed.
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Authors
Samir F. Matar, Gérard Demazeau,