Crystal Structure Evolution of CaSiO3 Polymorphs at Earth’s Mantle Pressures

CaSiO3 polymorphs are abundant in only unique geological settings on the Earth’s surface and are the major Ca-bearing phases at deep mantle condition. An accurate and comprehensive study of their density and structural evolution with pressure and temperature is still lacking. Therefore, in this study we report the elastic behavior and structural evolution of wollastonite and CaSiO3-walstromite with pressure. Both minerals are characterized by first order phase transitions to denser structures. The deformations that lead to these transformations allow a volume increase ofthe bigger polyhedra, which might ease cation substitution in the structural sites of these phases. Furthermore, their geometrical features are clear analogies with those predicted and observed for tetrahedrally-structured ultra-high-pressure carbonates, which are unfortunately unquenchable. Indeed, wollastonite and CaSiO3-walstromite have a close resemblance to ultra-high-pressure chain- and ring-carbonates. This suggests a rich polymorphism also for tetrahedral carbonates, which might increase the compositional range of these phases, including continuous solid solutions involving cations with different size (Ca vs. Mg in particular) and important minor or trace elements incorporation.

Redox state of southern Tibetan upper mantle and ultrapotassic magmas

The redox state of Earth’s upper mantle in several tectonic settings, such as cratonic mantle, oceanic mantle, and mantle wedges beneath magmatic arcs, has been well documented. In contrast, oxygen fugacity () data of upper mantle under orogens worldwide are rare, and the mechanism responsible for the mantle condition under orogens is not well constrained. In this study, we investigated the of mantle xenoliths derived from the southern Tibetan lithospheric mantle beneath the Himalayan orogen, and that of postcollisional ultrapotassic volcanic rocks hosting the xenoliths. The of mantle xenoliths ranges from ΔFMQ = +0.5 to +1.2 (where ΔFMQ is the deviation of log from the fayalite-magnetite-quartz buffer), indicating that the southern Tibetan lithospheric mantle is more oxidized than cratonic and oceanic mantle, and it falls within the typical range of mantle wedge values. Mineralogical evidence suggests that water-rich fluids and sediment melts liberated from both the subducting Neo-Tethyan oceanic slab and perhaps the Indian continental plate could have oxidized the southern Tibetan lithospheric mantle. The conditions of ultrapotassic magmas show a shift toward more oxidized conditions during ascent (from ΔFMQ = +0.8 to +3.0). Crustal evolution processes (e.g., fractionation) could influence magmatic , and thus the redox state of mantle-derived magma may not simply represent its mantle source.

Density functional theory calculations and thermodynamic analysis of bridgmanite surface structure

Bridgmanite surface structure variations as a function of chemical potentials of Mg and O at the upper most of the Earth's lower mantle condition (∼660 km).

PRESSURE-RELATED PHASE STABILITY OF MgSiO3and(Mg0.75, Fe0.25)SiO3 AT LOWER MANTLE CONDITION

Relative stability of different phases for MgSiO 3 and ( Mg 0.75, Fe 0.25) SiO 3 within 0–110 GPa are investigated using first-principles method. For MgSiO 3, the computed equation of state for orthorhombic phase of Pbnm space group agrees well with experimental results. The relative stability reduces from observed Pbnm orthorhombic phase to intermediated tetragonal P4mbm phase, and then to hypothetical cubic [Formula: see text] phase. For ( Mg 0.75, Fe 0.25) SiO 3, the same sequence of relative phase stability is observed. Thus, the low-symmetric orthorhombic MgSiO 3 should be favored in the lower mantle condition, while adding Fe into MgSiO 3 will make it less stable at the same depth.