Ultrahigh-pressure disordered eight-coordinated phase of Mg2GeO4: Analogue for super-Earth mantles

Significance This work presents experimental evidence for the formation of a phase with eightfold coordination of germanium by oxygen in Mg2GeO4, a well-known analogue of Mg2SiO4 at extreme pressure and temperatures. Using both experiments and theoretical computations, we have determined the structure, equation of state, and phase stability of this phase at pressures above 200 GPa. The existence of this phase in the silicate counterpart may play an important role in the structure and dynamics of the deep interiors of large, rocky exoplanets. Mg2GeO4 is important as an analog for the ultrahigh-pressure behavior of Mg2SiO4, a major component of planetary interiors. In this study, we have investigated magnesium germanate to 275 GPa and over 2,000 K using a laser-heated diamond anvil cell combined with in situ synchrotron X-ray diffraction and density functional theory (DFT) computations. The experimental results are consistent with the formation of a phase with disordered Mg and Ge, in which germanium adopts eightfold coordination with oxygen: the cubic, Th3P4-type structure. DFT computations suggest partial Mg-Ge order, resulting in a tetragonal I4¯2d structure indistinguishable from I4¯3d Th3P4 in our experiments. If applicable to silicates, the formation of this highly coordinated and intrinsically disordered phase may have important implications for the interior mineralogy of large, rocky extrasolar planets.