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Structural Phase Transition and Disproportionation of MnF 3 Under High Pressure and High Temperature.

Jie LiuJinming ZhuHongyu YuAndong YaoZihan ZhangRongshu GuanKuo BaoTian Cui
Published in: Inorganic chemistry (2024)
Materials that once suffered under high-pressure and high-temperature conditions often display unusual phenomena that challenge traditional understanding. MnF 3 , an intermediate valence state Mn-F compound, exhibits a distorted octahedral crystal structure influenced by the Jahn-Teller effect. Here we report the structural phase transition and self-disproportionation of MnF 3 under high pressure and high temperature. The initial octahedra phase I 2/ a -MnF 3 transforms into the hendecahedra Pnma phase under high pressure. Subsequently, we found that molten Pnma -MnF 3 self-disproportionate into MnF 2 and MnF 4 with the aid of laser heating at a pressure above 57.1 GPa. Raman spectra and UV-vis absorption experiments confirmed these changes that were ultimately confirmed by synchrotron radiation XRD. The equation of states for the volume with the pressure of these Mn-F compounds was also given. This work expands the study of Mn-F systems and provides guidance for the behavior of transition metal fluorides under high pressures and high temperatures.
Keyphrases
  • high temperature
  • transition metal
  • crystal structure
  • metal organic framework
  • density functional theory
  • high speed
  • label free
  • molecular dynamics
  • ionic liquid