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Abstract Earth’s lower mantle is a potential water reservoir. The physical and chemical properties of the region are in part controlled by the Fe3+/ΣFe ratio and total iron content in bridgmanite. However, the water effect on the chemistry of bridgmanite remains unclear. We carry out laser-heated diamond anvil cell experiments under hydrous conditions and observe dominant Fe2+ in bridgmanite (Mg, Fe)SiO3 above 105 GPa under the normal geotherm conditions corresponding to depth > 2300 km, whereas Fe3+-rich bridgmanite is obtained at lower pressures. We further observe FeO in coexistence with hydrous NiAs-type SiO2 under similar conditions, indicating that the stability of ferrous iron is a combined result of H2O effect and high pressure. The stability of ferrous iron in bridgmanite under hydrous conditions would provide an explanation for the nature of the low-shear-velocity anomalies in the deep lower mantle. In addition, entrainment from a hydrous dense layer may influence mantle plume dynamics and contribute to variations in the redox conditions of the mantle.

The measurement of resistivity in a compressed material within a diamond anvil cell presents significant challenges. The high-pressure experimental setup makes it difficult to directly measure the size changes induced by pressure in the three crystallographic directions of the sample. In this study, we introduce a novel and effective method that addresses these technical challenges. This method is anticipated to offer a valuable foundation for high-pressure investigations on quantum materials, particularly those with anisotropic layered structures.

Abstract Electride possesses electrons localized at interstitial sites without attracting nuclei. It brings outstanding material properties not only originating from its own loosely bounded characteristics but also serving as a quasiatom, which even chemically interacts with other elemental ions. In elemental metals, electride transitions have been reported in alkali metals where valence electrons can easily gain enough kinetic energy to escape nuclei. However, there are few studies on transition metals. Especially iron, the key element of human technology and geophysics, has not been studied in respect of electride formation. In this study, it is demonstrated that electride formation drives the superionic state in iron hydride under high‐pressure conditions of the earth's inner core. The electride stabilizes the iron lattice and provides a pathway for hydrogen diffusion by severing the direct interaction between the metal and the volatile element. The coupling between lattice stability and superionicity is triggered near 100 GPa and enhanced at higher pressures. It is shown that the electride‐driven superionicity can also be generalized for metal electrides and other rocky planetary cores by providing a fundamental interaction between the electride of the parent metal and doped light elements.

Following the recent report by Dasenbrock-Gammon et al. [Nature 615, 244–250 (2023)] of near-ambient superconductivity in nitrogen-doped lutetium trihydride (LuH3−δNε), significant debate has emerged surrounding the composition and interpretation of the observed sharp resistance drop. Here, we meticulously revisit these claims through comprehensive characterization and investigations. We definitively identify the reported material as lutetium dihydride (LuH2), resolving the ambiguity surrounding its composition. Under similar conditions (270–295 K and 1–2 GPa), we replicate the reported sharp decrease in electrical resistance with a 30% success rate, aligning with the observations by Dasenbrock-Gammon et al. However, our extensive investigations reveal this phenomenon to be a novel pressure-induced metal-to-metal transition intrinsic to LuH2, distinct from superconductivity. Intriguingly, nitrogen doping exerts minimal impact on this transition. Our work not only elucidates the fundamental properties of LuH2 and LuH3, but also critically challenges the notion of superconductivity in these lutetium hydride systems. These findings pave the way for future research on lutetium hydride systems, while emphasizing the crucial importance of rigorous verification in claims of ambient-temperature superconductivity.

Abstract The lunar surface and interior are highly reducing, resulting in the virtually absence of ferric ion. However, recent studies suggest the presence of ferric iron in lunar samples, and in most cases they were found in amorphous silicates (e.g., glass beads) measured by TEM–EELS. In this work, we conducted a systematic TEM–EELS analysis on the iron valence states of Chang’e-5 impact glass beads. The Fe3+/ΣFe ratio of each silicate glass sample was determined from integral intensity of Fe L3 and L2 edge. The measurements show a positive correlation between the dwell time and Fe3+/ΣFe ratio, which reveals that ferric iron can be significantly produced by electron beam bombardment under routine analytical condition. The calculated Fe3+/ΣFe with short dwell times (≤ 20 ms) in our Chang’e-5 impact glass beads show no detectable inherent ferric iron, suggesting that the ferric iron is not ubiquitous as previously reported. It is obvious that a careful control of experiment conditions is critical to determine the inherent redox state of other beam-sensitive terrestrial and extraterrestrial samples. Graphical Abstract

Abstract The role of stishovite in transporting water in subducting slabs has been a subject of debate for several decades. Here we investigated stishovite's water solubility and its potential role in water transportation as a function of temperature from 1300 to 2100°C at 22 GPa. Under water‐saturated conditions, high‐quality, Al‐free stishovite single crystals were synthesized with multi‐anvil press, and their water contents were measured using infrared spectroscopy. The H2O solubility in stishovite increases from 128(20) to 521(47) wt. ppm with increasing temperature from 1300 to 1700°C and decreased to 145(26) wt. ppm at 2100°C. The maximum H2O content was about seven times larger than earlier high‐temperature multi‐anvil studies but significantly lower than recent laser‐heated diamond anvil cell and low‐temperature multi‐anvil studies. We suggest that Al‐free stishovite may not be a significant H2O carrier in subducting slabs, at least at the topmost lower mantle corresponding to our experimental conditions.

Earth’s inner core is heterogeneous and anisotropic. A new study based on computational simulation reveals the presence of ionic hydrogen flux in iron crystals, driven by the dipole geomagnetic field, which promotes the formation of observed inner core structure.

Topochemical reactions are a promising method to obtain crystalline polymeric materials with distance-determined regio- or stereoselectivity. It has been concluded on an empirical basis that the closest intermolecular C⋯C distance in crystals of alkynes, d(C⋯C)min, should reach a threshold of ∼3 Å for bonding to occur at room temperature. To understand this empirical threshold, we study here the polymerization of acetylene in the crystalline state under high pressure by calculating the structural geometry, vibrational modes, and reaction profile. We find d(C⋯C)min to be the sum of an intrinsic threshold of 2.3 Å and a thermal displacement of 0.8 Å (at room temperature). Molecules at the empirical threshold move via several phonon modes to reach the intrinsic threshold, at which the intermolecular electronic interaction is sharply enhanced and bonding commences. A distance–vibration-based reaction picture is thus demonstrated, which provides a basis for the prediction and design of topochemical reactions, as well as an enhanced understanding of the bonding process in solids.

An impact structure 1400 m in diameter, formed by a bolide impact, has been discovered on Baijifeng Mountain in Tonghua City in Northeast China’s Jilin province. The impact structure takes the form of a cirque-shaped depression on the top of the mountain and is located in a basement mainly composed of Proterozoic sandstone and Jurassic granite. A large number of rock fragments composed mainly of sandstone, with a small amount of granite, are distributed on the top of Baijifeng Mountain. Planar deformation features (PDFs) have been found in quartz in the rock and mineral clasts collected from the surface inside the depression. The forms of the PDFs indexed in the quartz include among others, {101̄3}, {101̄2}, and {101̄1}. The presence of these PDFs provides diagnostic evidence for shock metamorphism and the impact origin of the structure. The impact event took place after the Jurassic Period and probably much later.

The recent report of superconductivity in nitrogen-doped lutetium hydride (Lu-H-N) at 294 K and 1 GPa brought hope for long-sought-after ambient-condition superconductors. However, the failure of scientists worldwide to independently reproduce these results has cast intense skepticism on this exciting claim. In this work, using a reliable experimental protocol, we synthesized Lu-H-N while minimizing extrinsic influences and reproduced the sudden change in resistance near room temperature. With quantitative comparison of the temperature-dependent resistance between Lu-H-N and the pure lutetium before reaction, we were able to clarify that the drastic resistance change is most likely caused by a metal-to-poor-conductor transition rather than by superconductivity. Herein, we also briefly discuss other issues recently raised in relation to the Lu-H-N system.

A material described as lutetium–hydrogen–nitrogen (Lu-H-N in short) was recently claimed to have “near-ambient superconductivity” [Dasenbrock-Gammon et al., Nature 615, 244–250 (2023)]. If this result could be reproduced by other teams, it would be a major scientific breakthrough. Here, we report our results of transport and structure measurements on a material prepared using the same method as reported by Dasenbrock-Gammon et al. Our x-ray diffraction measurements indicate that the obtained sample contains three substances: the face-centered-cubic (FCC)-1 phase (Fm-3m) with lattice parameter a = 5.03 Å, the FCC-2 phase (Fm-3m) with a lattice parameter a = 4.755 Å, and Lu metal. The two FCC phases are identical to the those reported in the so-called near-ambient superconductor. However, we find from our resistance measurements in the temperature range from 300 K down to 4 K and the pressure range 0.9–3.4 GPa and our magnetic susceptibility measurements in the pressure range 0.8–3.3 GPa and the temperature range down to 100 K that the samples show no evidence of superconductivity. We also use a laser heating technique to heat a sample to 1800 °C and find no superconductivity in the produced dark blue material below 6.5 GPa. In addition, both samples remain dark blue in color in the pressure range investigated.

The synthesis and characterization of new crystalline-amorphous hybrid materials is challenging. Here, the authors report the preparation of a nested order-disorder framework by applying high pressure to a nested copper chalcogenide Cu12Sb4S13.

Water has remarkable effects on the properties of mantle rocks, but, owing to the high temperatures in the mantle, uncertainties remain about how and how much water is transported into the deep Earth. Recent studies have shown that stishovite and post-stishovites as high-pressure phases of SiO2 have the potential to carry weight percent levels of water into the Earth’s interior along the geotherm of the subducting oceanic crust. As slabs are subducted to the deepest mantle, dehydration of these dense hydrous silica phases has the potential to change the physicochemical properties of the mantle by reducing melting points, forming new high-pressure phases, and enhancing the oxygen fugacity heterogeneity of the lower mantle.

High pressures induce changes of properties and structures that could greatly impact materials science if such changes were preserved for ambient applications. Mimicking the geological process of diamond formation that the pressures and high-pressure phases in diamond inclusions can be preserved by the strong diamond envelope, we discuss the perspectives that such process revolutionizes high-pressure science and technology and opens a great potential for creation of functional materials with extremely favorable properties.

Alkanes are an important part of petroleum, the stability of alkanes under extreme conditions is of great significance to explore the origin of petroleum and the carbon cycle in the deep Earth. Here, we performed Raman and infrared (IR) spectroscopy studies of n-hexane and cyclohexane under high pressure up to ~42 ​GPa ​at room temperature (RT) and high temperature (HT). n-Hexane and cyclohexane undergo several phase transitions at RT around 1.8, 8.5, 18 ​GPa and 1.1, 2.1, 4.6, 13, 30 ​GPa, respectively, without any chemical reaction. By using resistive heating combined with diamond anvil cell at pressure up to 20 ​GPa and temperature up to 1000 ​K, both n-hexane and cyclohexane decompose to hydrogenated graphitic carbon and n-hexane exhibits higher stability than cyclohexane. Our results indicate that hydrocarbons tend to dehydrogenate in the upper mantle, and the extension of carbon chains may lead to the formation of some unsaturated compounds and eventually transfer into graphitic products.

Along the cold subduction geotherm, glaucophane remains stable down to pressure and temperature (P–T) conditions of ca. 240 km depth, whereas under the warm subduction geotherm, it dehydrates and breaks down into pyroxenes and silica between ca. 50 and 100 km depths.

Calcium and oxygen are abundant elements in the Earth’s mantle, largely present as calcium oxide. Here the authors show, by experiments and computations, that calcium ozonide (CaO3) is stabilized at the high pressures and temperatures characteristic of the lower mantle, with implications for the deep Earth’s chemistry.

Hydrogen (H) is the most abundant element in the known universe, and on the Earth’s surface it bonds with oxygen to form water, which is a distinguishing feature of this planet. In the Earth’s deep mantle, H is stored hydroxyl (OH−) in hydrous or nominally anhydrous minerals. Despite its ubiquity on the surface, the abundance of H in the Earth’s deep interior is uncertain. Estimates of the total H budget in the Earth’s interior have ranged from less than one hydrosphere, which assumes an H-depleted interior, to hundreds of hydrospheres, which assumes that H is siderophile (iron-loving) in the core. This discrepancy raises the questions of how H is stored and transported in the Earth’s deep interior, the answers to which will constrain its behavior in the deep lower mantle, which is defined as the layer between 1700 km depth and the core–mantle boundary.

Born’s valence force-field model (VFM) established a theoretical scheme for calculating the elasticity, zero-point optical mode, and lattice dynamics of diamond and diamond-structured solids. In particular, the model enabled the derivation of a numerical relation between the elastic moduli and the Raman-active F2g mode for diamond. Here, we establish a relation between the diamond Raman frequency ω and the bulk modulus K through first-principles calculation, rather than extrapolation. The calculated K exhibits a combined uncertainty of less than 5.4% compared with the results obtained from the analytical equation of the VFM. The results not only validate Born’s classic model but also provide a robust K–ω functional relation extending to megabar pressures, which we use to construct a primary pressure scale through Raman spectroscopy and the crystal structure of diamond. Our computations also suggest that currently used pressure gauges may seriously overestimate pressures in the multi-megabar regime. A revised primary scale is urgently needed for such ultrahigh pressure experiments, with possible implications for hot superconductors, ultra-dense hydrogen, and the structure of the Earth’s core.

Diamonds form in a variety of environments between subducted crust, lithospheric and deep mantle. Recently, deep source diamonds with inclusions of the high-pressure H2O-phase ice-VII were discovered. By correlating the pressures of ice-VII inclusions with those of other high-pressure inclusions, we assess quantitatively the pressures and temperatures of their entrapment. We show that the ice-VII-bearing diamonds formed at depths down to 800 ± 60 km but at temperatures 200–500 K below average mantle temperature that match the pressure-temperature conditions of decomposing dense hydrous mantle silicates. Our work presents strong evidence for coupled recycling of water and carbon in the deep mantle based on natural samples.

The lower mantle makes up more than a half of our planet’s volume. Mineralogical and petrological experiments on realistic bulk compositions under high pressure–temperature (P–T) conditions are essential for understanding deep mantle processes. Such high P–T experiments are commonly conducted in a laser-heated diamond anvil cell, producing a multiphase assemblage consisting of 100 nm to submicron crystallite grains. The structures of these lower mantle phases often cannot be preserved upon pressure quenching; thus, in situ characterization is needed. The X-ray diffraction (XRD) pattern of such a multiphase assemblage usually displays a mixture of diffraction spots and rings as a result of the coarse grain size relative to the small X-ray beam size (3–5 μm) available at the synchrotron facilities. Severe peak overlapping from multiple phases renders the powder XRD method inadequate for indexing new phases and minor phases. Consequently, structure determination of new phases in a high P–T multiphase assemblage has been extremely difficult using conventional XRD techniques. Our recent development of multigrain XRD in high-pressure research has enabled the indexation of hundreds of individual crystallite grains simultaneously through the determination of crystallographic orientations for these individual grains. Once indexation is achieved, each grain can be treated as a single crystal. The combined crystallographic information from individual grains can be used to determine the crystal structures of new phases and minor phases simultaneously in a multiphase system. With this new development, we have opened up a new area of crystallography under the high P–T conditions of the deep lower mantle. This paper explains key challenges in studying multiphase systems and demonstrates the unique capabilities of high-pressure multigrain XRD through successful examples of its applications. Keywords: High pressure, Synchrotron X-ray, Multigrain, Diamond anvil cell, Minerals, Petrology, Earth’s interior

Subduction of oceanic crust introduces huge amounts of carbonates into Earth’s mantle, contributing to the global carbon cycle. Here, based on high-pressure-temperature experiments, the authors present a reversible temperature-induced transition from aragonite to amorphous CaCO3.

Iron oxides prevail in the deep Earth, at extreme pressures and temperatures, with different stoichiometries than in ambient conditions. Here, high-pressure synchrotron X-ray spectroscopic measurements reveal the oxidation states of Fe and O in iron superoxide, shedding light on the puzzling chemistry of iron and oxygen in the deep Earth

Diamond anvil cell techniques have been improved to allow access to the multimegabar ultrahigh-pressure region for exploring novel phenomena in condensed matter. However, the only way to determine crystal structures of materials above 100 GPa, namely, X-ray diffraction (XRD), especially for low Z materials, remains nontrivial in the ultrahigh-pressure region, even with the availability of brilliant synchrotron X-ray sources. In this work, we perform a systematic study, choosing hydrogen (the lowest X-ray scatterer) as the subject, to understand how to better perform XRD measurements of low Z materials at multimegabar pressures. The techniques that we have developed have been proved to be effective in measuring the crystal structure of solid hydrogen up to 254 GPa at room temperature [C. Ji et al., Nature 573, 558–562 (2019)]. We present our discoveries and experiences with regard to several aspects of this work, namely, diamond anvil selection, sample configuration for ultrahigh-pressure XRD studies, XRD diagnostics for low Z materials, and related issues in data interpretation and pressure calibration. We believe that these methods can be readily extended to other low Z materials and can pave the way for studying the crystal structure of hydrogen at higher pressures, eventually testing structural models of metallic hydrogen.

Compelling evidence indicates that the solid Earth consists of two physicochemically distinct zones separated radially in the middle of the lower mantle at ∼1800 km depth. The inner zone is governed by pressure-induced physics and chemistry dramatically different from the conventional behavior in the outer zone. These differences generate large physical and chemical potentials between the two zones that provide fundamental driving forces for triggering major events in Earth’s history. One of the main chemical carriers between the two zones is H2O in hydrous minerals that subducts into the inner zone, releases hydrogen, and leaves oxygen to create superoxides and form oxygen-rich piles at the core–mantle boundary, resulting in localized net oxygen gain in the inner zone. Accumulation of oxygen-rich piles at the base of the mantle could eventually reach a supercritical level that triggers eruptions, injecting materials that cause chemical mantle convection, superplumes, large igneous provinces, extreme climate changes, atmospheric oxygen fluctuations, and mass extinctions. Interdisciplinary research will be the key for advancing a unified theory of the four-dimensional Earth system.

The hydrogen molecule is made from the first and lightest element in the periodic table. When hydrogen gas is either compressed or cooled, it forms the simplest molecular solid. This solid exhibits many interesting and fundamental physical phenomena. It is believed that if the density of the solid is increased by compressing it to very high pressures, hydrogen will transform into the lightest known metal with very unusual and fascinating properties, such as room temperature superconductivity and/or superfluidity. In this article, we provide a critical look at the numerous claims of hydrogen metallization and the current experimental state of affairs.

Recent reports of the superconductivity in hydrides of two different families (covalent lattice, as in SH3 and clathrate-type H-cages containing La and Y atoms, as in LaH10 and YH6) have revealed new families of high-Tc materials with Tc’s near room temperature values. These findings confirm earlier expectations that hydrides may have very high Tc’s due to the fact that light H atoms have very high vibrational frequencies, leading to high Tc values within the conventional Bardeen–Cooper–Schrieffer phonon mechanism of superconductivity. However, as is pointed out by Ashcroft, it is important to have the metallic hydrogen “alloyed” with the elements added to it. This concept of a metallic alloy containing a high concentration of metal-like hydrogen atoms has been instrumental in finding new high-Tc superhydrides. These new superhydride “room-temperature” superconductors are stabilized only at very high pressures above 100 GPa, making the experimental search for their superconducting properties very difficult. We will review the current experimental and theoretical results for LaH10−x and YH6−x superhydrides.

Up to now, all iron-based high-T c superconductors contain a square iron lattice. Here, Wang et al. report the observation of superconductivity in an iron honeycomb lattice accompanied with pressure-driven spin-crossover, in-plane lattice collapse and insulator-metal transition.

The discovery of a record high superconducting transition temperature (Tc) of 288 K in a pressurized hydride inspires new hope to realize ambient-condition superconductivity. Here, we give a perspective on the theoretical and experimental studies of hydride superconductivity. Predictions based on the BCS–Eliashberg–Midgal theory with the aid of density functional theory have been playing a leading role in the research and guiding the experimental realizations. To date, about twenty hydrides experiments have been reported to exhibit high-Tc superconductivity and their Tc agree well with the predicted values. However, there are still some controversies existing between the predictions and experiments, such as no significant transition temperature broadening observed in the magnetic field, the experimental electron-phonon coupling beyond the Eliashberg–Midgal limit, and the energy dependence of density of states around the Fermi level. To investigate these controversies and the origin of the highest Tc in hydrides, key experiments are required to determine the structure, bonding, and vibrational properties associated with H atoms in these hydrides.

Diamond’s properties are dictated by its crystalline, fully tetrahedrally bonded structure. Here authors synthesize a bulk sp 3-bonded amorphous form of carbon under high pressure and temperature, show that it has bulk modulus comparable to crystalline diamond and that it can be recovered under ambient conditions.

Abstract In situ high energy X-ray pair distribution function (PDF) measurements, microtomography and reverse Monte Carlo simulations were used to characterize the local structure of liquid gallium up to 1.9 GPa. This pressure range includes the well-known solid-solid phase transition from Ga-I to Ga-II at low temperature. In term of previous research, the local structure of liquid gallium within this domain was suggested a mixture of two local structures, Ga I and Ga II, based on fitting experimental PDF to known crystal structure, with a controversy. However, our result shows a distinctly different result that the local structure of liquid gallium resembles the atomic arrangement of both gallium phase II and III (the high pressure crystalline phase). A melting mechanism is proposed for Ga, in which the atomic structure of phase Ι breaks up at the onset of melting, providing sufficient free volume for atoms to rearrange, to form the melt.

The only known compound of sodium and hydrogen is ionic NaH, but theory predicts the existence of polyhydrides at high pressure. Here, the authors report observations of the formation of polyhydrides above 40 GPa and 2000 K, supporting the idea of multicentre bonding in a material with unusual stoichiometry.

Recently we are witnessing the boom of high-pressure science and technology from a small niche field to becoming a major dimension in physical sciences. One of the most important technological advances is the integration of synchrotron nanotechnology with the minute samples at ultrahigh pressures. Applications of high pressure have greatly enhanced our understanding of the electronic, phonon, and doping effects on the newly emerged graphene and related 2D layered materials. High pressure has created exotic stoichiometry even in common Group 17, 15, and 14 compounds and drastically altered the basic σ and π bonding of organic compounds. Differential pressure measurements enable us to study the rheology and flow of mantle minerals in solid state, thus quantitatively constraining the geodynamics. They also introduce a new approach to understand defect and plastic deformations of nano particles. These examples open new frontiers of high-pressure research.

The structural stability of methane hydrate under pressure at room temperature was examined by both in-situ single-crystal and powder X-ray diffraction techniques on samples with structure types I, II, and H in diamond-anvil cells. The diffraction data for types II (sII) and H (sH) were refined to the known structures with space groups Fd3m and P63/mmc, respectively. Upon compression, sI methane hydrate transforms to the sII phase at 120 MPa, and then to the sH phase at 600 MPa. The sII methane hydrate was found to coexist locally with sI phase up to 500 MPa and with sH phase up to 600 MPa. The pure sH structure was found to be stable between 600 and 900 MPa. Methane hydrate decomposes at pressures above 3 GPa to form methane with the orientationally disordered Fm3m structure and ice VII (Pn3m). The results highlight the role of guest (CH4)-host (H2O) interactions in the stabilization of the hydrate structures under pressure.

We studied the crystal structure and spin state of MnP under high pressure with synchrotron x-ray diffraction and x-ray emission spectroscopy (XES). MnP has an exceedingly strong anisotropy in compressibility, with the primary compressible direction along the b axis of the Pnma structure. XES reveals a pressure-driven quenching of the spin state in MnP. First-principles calculations suggest that the strongly anisotropic compression behavior significantly enhances the dispersion of the Mn d -orbitals and the splitting of the d -orbital levels compared to the hypothetical isotropic compression behavior. Thus, we propose spin quenching results mainly from the significant enhancement of the itinerancy of d electrons and partly from spin rearrangement occurring in the split d -orbital levels near the Fermi level. This explains the fast suppression of magnetic ordering in MnP under high pressure. The spin quenching lags behind the occurrence of superconductivity at ∼8 GPa implying that spin fluctuations govern the electron pairing for superconductivity.

Ferromagnesian silicates are the dominant constituents of the Earth's mantle, which comprise more than 80% of our planet by volume. To interpret the low shear-velocity anomalies in the lower mantle, we need to construct a reliable transformation diagram of ferromagnesian silicates over a wide pressure-temperature (P-T) range. While MgSiO3 in the perovskite structure has been extensively studied due to its dominance on Earth, phase transformations of iron silicates under the lower mantle conditions remain unresolved. In this study, we have obtained an iron silicate phase in the perovskite (Pv) structure using synthetic fayalite (Fe2SiO4) as the starting material under P-T conditions of the lower mantle. Chemical analyses revealed an unexpectedly high Fe/Si ratio of 1.72(3) for the Pv phase in coexistence with metallic iron particles, indicating incorporation of about 25 mol% Fe2O3 in the Pv phase with an approximate chemical formula (Fe2+ 0.75Fe3+ 0.25)(Fe3+ 0.25Si0.75)O3. We further obtained an iron silicate phase in the postperovskite (PPv) structure above 95 GPa. The calculated curves of compressional (VP) and shear velocity (VS) of iron silicate Pv and PPv as a function of pressure are nearly parallel to those of MgSiO3, respectively. To the best of our knowledge, the iron silicate Pv and PPv are the densest phases among all the reported silicates stable at P-T conditions of the lower mantle. The high ferric iron content in the silicate phase and the spin-crossover of ferric iron at the Si-site above ~55 GPa should be taken into account in order to interpret the seismic observations. Our results would provide crucial information for constraining the geophysical and geochemical models of the lower mantle. [ABSTRACT FROM AUTHOR]