Hydrogen is likely one of the light elements in the Earth’s core. Despite its importance, no direct observation has been made of hydrogen in an iron lattice at high pressure. We made the first direct determination of site occupancy and volume of interstitial hydrogen in a face-centered cubic (fcc) iron lattice up to 12 GPa and 1200 K using the in situ neutron diffraction method. The transition temperatures from the body-centered cubic and the double-hexagonal close-packed phases to the fcc phase were higher than reported previously. At pressures <5 GPa, the hydrogen content in the fcc iron hydride lattice ( x ) was small at x < 0.3, but increased to x > 0.8 with increasing pressure. Hydrogen atoms occupy both octahedral (O) and tetrahedral (T) sites; typically 0.870(±0.047) in O-sites and 0.057(±0.035) in T-sites at 12 GPa and 1200 K. The fcc lattice expanded approximately linearly at a rate of 2.22(±0.36) Å 3 per hydrogen atom, which is higher than previously estimated (1.9 Å 3 /H). The lattice expansion by hydrogen dissolution was negligibly dependent on pressure. The large lattice expansion by interstitial hydrogen reduced the estimated hydrogen content in the Earth’s core that accounted for the density deficit of the core. The revised analyses indicate that whole core may contain hydrogen of 80(±31) times of the ocean mass with 79(±30) and 0.8(±0.3) ocean mass for the outer and inner cores, respectively.

We explore the partitioning behavior of hydrogen between coexisting metal and silicate melts at conditions of the magma ocean and the current core–mantle boundary with the help of density functional theory molecular dynamics. We perform simulations with the two‐phase and thermodynamic integration methods. We find that hydrogen is weakly siderophile at low pressure (20 GPa and 2,500 K), and becomes much more strongly so with pressure, suggesting that hydrogen is transported to the core in a significant amount during core segregation and is stable there. Based on our results, the core likely contains ~1 wt% H, assuming single‐stage formation and equilibration at 40 GPa. Our two‐phase simulations further suggest that silicon is entrained in the core‐forming metal, while magnesium remains in the silicate phase. This preferred incorporation of silicon hints at an explanation for the elevated Mg/Si ratio of the bulk silicate Earth relative to chondritic compositions.

The 660-km seismic discontinuity, which is a significant structure in the Earth’s mantle, is generally interpreted as the post-spinel transition, as indicated by the decomposition of ringwoodite to bridgmanite + ferropericlase. All precise high-pressure and high-temperature experiments nevertheless report 0.5–2 GPa lower transition pressures than those expected at the discontinuity depth (i.e. 23.4 GPa). These results are inconsistent with the post-spinel transition hypothesis and, therefore, do not support widely accepted models of mantle composition such as the pyrolite and CI chondrite models. Here, we present new experimental data showing post-spinel transition pressures in complete agreement with the 660-km discontinuity depth obtained by high-resolution in situ X-ray diffraction in a large-volume high-pressure apparatus with a tightly controlled sample pressure. These data affirm the applicability of the prevailing mantle models. We infer that the apparently lower pressures reported by previous studies are experimental artefacts due to the pressure drop upon heating. The present results indicate the necessity of reinvestigating the position of mantle mineral phase boundaries previously obtained by in situ X-ray diffraction in high-pressure–temperature apparatuses.

The Earth's mantle is characterised by a sharp seismic discontinuity at a depth of 660-km that can provide insights into deep mantle processes. The discontinuity occurs over only 2km -or a pressure difference of 0.1 GPa -and is thought to result from the post-spinel transition, that is, the decomposition of the mineral ringwoodite to bridgmanite plus ferropericlase. Existing high-pressure-temperature experiments have lacked the pressure control required to test whether such sharpness is the result of isochemical phase relations or chemically distinct upper and lower mantle domains. Here, we obtain the isothermal pressure interval of the Mg-Fe binary post-spinel transition by applying advanced multianvil techniques with in situ X-ray diffraction with help of Mg-Fe partition experiments. It is demonstrated that the interval at mantle compositions and temperatures is only 0.01 GPa, corresponding to 250 m. This interval is indistinguishable from zero at seismic frequencies. These results can explain the discontinuity sharpness and provide new support for whole mantle convection in a chemically homogeneous mantle. The present work suggests that distribution of adiabatic vertical flows between the upper and lower mantles can be mapped based on discontinuity sharpness. Main:The 660-km seismic discontinuity (D660) is the boundary between the upper and lower mantles. Seismological studies based on short-period P-wave reflections (Pʹ660Pʹ-PʹPʹ) have demonstrated that D660 is extremely sharp and less than 2 km thick 1 , which is in striking contrast to the 7-km-thick 410-km discontinuity 1 . Understanding the nature of D660 from a perspective of mineral physics provides important clues to open questions about the structure and dynamic processes in the Earth's mantle, such as slab subduction and upwelling of hot plume.Geochemical studies suggest that the Earth's upper mantle consists of ca. 60% atom-