The structure of the metallic high-pressure Fe₃O₄polymorph: experimental and theoretical study

Abstract

Using electrically- and laser-heated diamond anvil cells at pressures above 40 GPa we synthesized the pure high-pressure Fe3O4 phase (h-Fe3O4)and performed an in situ structural refinement. In good agreement with our ab initio calculations we found that h-Fe3O4 adopts the CaTi2O4-type structure (space group Bbmm). Electrical resistivity measurements show that h-Fe3O4 is metallic up to at least 70 GPa.