Hydrostatic compression of γ-Mg2SiO4 to mantle pressures and 700 K: Thermal equation of state and related thermoelastic properties

P-V-T equations of state for the γ phase of Mg₂SiO₄ have been fitted to unit cell volumes measured under simultaneous high pressure (up 30 GPa) and high temperature (up to 700 K) conditions. The measurements were conducted in an externally heated diamond anvil cell using synchrotron x-ray diffraction. Neon was used as a pressure medium to provide a more hydrostatic pressure environment. The P-V-T data include 300 K-isothermal compression to 30 GPa, 700 K-compression to 25 GPa and some additional data in P-T space in the region 15 to 30 GPa and 300 to 700 K. The isothermal bulk modulus and its pressure derivative, determined from the isothermal compression data, are 182(3) GPa and 4.2(0.3) at T=300 K, and 171(4) GPa and 4.4(0.5) at T=700 K. Fitting all the P-V-T data to a high-temperature Murnaghan equation of state yields: K _TO=182(3.0) GPa, K _TO=4.0(0.3), ?K _T /?T)₀=?2.7(0.5)×10^?2 GPa/K and (?² K _T /?P?T)₀=5.5(5.2)×10^?4/K at the ambient condition.     

The structure of shocks in the atmospheres of pulsating stars

The structure of shocks propagating through partially ionized hydrogen gas with characteristics typical of the atmospheres of RR Lyr, W Vir, and RV Tau type variables is analyzed in terms of a self-consistent solution of the equations of gas dynamics, atomic kinetics, and radiation transfer. The solutions were obtained for shock waves with velocities 20 km/s≤U ₁≤90 km/s and unperturbed hydrogen gas with temperatures 3000 K≤T ₁≤9000 K and density ρ₁=10^?10 g/cm³. The fraction of the energy of the gas-dynamic flux converted into radiation increases with the shock amplitude, and the ratio of the radiation flux emitted by the shock to the gas kinetic energy flux is 0.4???0.8 for the velocities U ₁ considered. This ratio also increases slightly with the ambient gas temperature T ₁ due to an increase in hydrogen ionization in the radiative precursor. The flux emitted by the leading edge of the shock opposite to the gas flow is several percent higher than the flux emitted in the opposite direction by the trailing edge of the shock. Radiation is mostly concentrated in the Balmer continuum, and the region of efficient Lyman radiation transfer includes gas layers located near the viscous jump (δX=±10⁴ cm). The final gas-compression ratio in units of the limiting compression corresponding to an isothermal approximation is virtually independent of the shock amplitude, and increases with the unperturbed gas temperature from r≈0.5 at T ₁=3000 K to r≈0.9 at T ₁=9000 K.     

Delamination and ultra‐deep subduction of continental crust: constraints from elastic wave velocity and density measurement in ultrahigh‐pressure metamorphic rocks

Thirty‐three samples, including 22 eclogites, collected from the Dabie ultrahigh‐pressure (UHP) metamorphic belt in eastern China, have been studied for seismic properties. Compressional (V_p) and shear wave (V_s) velocities in three mutually perpendicular directions under hydrostatic pressures up to 1.0 GPa were measured for each sample. At 1.0 GPa, V_p (7.5–8.4 km s^?1), V_s (4.2–4.8 km s^?1), and densities (3.2–3.6 g cm^?3) in the UHP eclogites are higher than those of UHP orthopyroxenite (7.3–7.5 km s^?1, 4.1–4.3 km s^?1, 3.2–3.3 g cm^?3, respectively) and HP eclogites (7.1–7.9 km s^?1, 4.0–4.5 km s^?1, 3.1–3.5 g cm^?3, respectively). Kyanitites (with 99.5% kyanite) show extremely high velocities and density (9.37 km s^?1, 5.437 km s^?1, 3.581 g cm^?3, respectively). The eclogites show variation of V_p‐ and V_s‐anisotropy up to 9.70% and 9.17%, respectively. Poisson’s ratio (σ) ranges from 0.218 to 0.278 (with a mean of 0.255) for eclogites, 0.281–0.298 for granulites and 0.248 to 0.255 for amphibolites. The σ values for serpentinite (0.341) and marble (0.321) are higher than for other lithologies. The elastic moduli K, G, E of kyanitite were obtained as 163, 102 and 253 GPa, respectively. The V_p and density of representative UHP metamorphic rocks (eclogite & kyanitite) were extrapolated to mantle depth (15 GPa) following a reasonable geotherm, and compared to the one dimension mantle velocity and density model. The comparison shows that V_p and density in eclogite and kyanitite are greater than those of the ambient mantle, with differences of up to ΔV_p > 0.3 km s^?1 and Δρ > 0.3–0.4 g cm^?3, respectively. This result favours the density‐induced delamination model and also provides evidence in support of distinguishing subducted high velocity materials in the upper mantle by means of seismic tomography. Such ultra‐deep subduction and delamination processes have been recognized by seismic tomography and geochemical tracing in the postcollisional magmatism in the Dabie region.     

Compression of Fe3C to 30 GPa at room temperature

Polycrystalline Fe₃C (cementite) was compressed in a neon pressure medium to 30.5 GPa at 300 K using diamond-anvil cell techniques. Angular dispersive X-ray diffraction of Fe₃C was measured using monochromatic synchrotron radiation and imaging plates. No phase transition was observed up to the highest pressure studied. The pressure–volume data were fitted to a third-order Birch–Murnaghan equation of state. With V ₀ constrained to a measured value of 155.28 ų, the best fit yielded a 300-K isothermal bulk modulus K ₀ = 174 ± 6 GPa, and its pressure derivative at constant temperature K ₀ ^′ =(K ₀ /P) _T = 4.8±0.8.     

The pressure and temperature dependence of the elastic properties of single-crystal fayalite Fe2SiO4

The nine adiabatic elastic stiffness constants of synthetic single-crystal fayalite, Fe₂SiO₄, were measured as functions of pressure (range, 0 to 1.0 GPa) and temperature (range, 0 to 40° C) using the pulse superposition ultrasonic method. Summary calculated results for a dense fayalite polycrystalline aggregate, based on the HS average of our single-crystal data, are as follows: V_p = 6.67 km/s; V_s = 3.39km/s; K= 127.9 GPa; μ = 50.3 GPa; (?K/?P)_T = 5.2; (?μ/?P)_T=1.5;(?K/?T)_P= ?0.030 GPa/K;and,(?/?T)_P =-0.013 GPa/K (the pressure and temperature data are referred to 25° C and 1 atm, respectively). Accuracy of the single-crystal results was maintained by numerous cross and redundancy checks. Compared to the single-crystal elastic properties of forsterite, Mg₂SiO₄, the fayalite stiffness constants, as well as their pressure derivatives, are lower for each of the on-diagonal (C _ij for which i=j) values, and generally higher for the off-diagonal (C _ij for which i≠j) data. As a result, the bulk moduli (K) and dK/dP for forsterite and fayalite are very similar, but the rigidity modulus (μ) and dμ/dP for polycrystalline fayalite are much lower than their forsterite counterparts. The bulk compression properties derived from this study are very consistent with the static-compression x-ray results of Yagi et al. (1975). The temperature dependence of the bulk modulus of fayalite is somewhat greater (in a negative sense) than that of forsterite. The rigidity dependencies are almost equivalent. Over the temperature range relevant to this study, the elastic property results are generally consistent with the data of Sumino (1978), which were obtained using the RPR technique. However, some of the compressional modes are clearly discrepant. The elastic constants of fayalite appear to be less consistent with a theoretical HCP model (Leibfried 1955) than forsterite, reflecting the more covalent character of the Fe-O bonding in the former.     

Phase transition of zircon at high P-T conditions

Abstract In situ observations of the zircon-reidite transition in ZrSiO₄ were carried out using a multianvil high-pressure apparatus and synchrotron radiation. The phase boundary between zircon and reidite was determined to be P (GPa) = 8.5+0.0017×(T-1200) (K) for temperatures between 1100–1900 K. When subducted slabs, including igneous rocks and sediments, descend into the upper mantle, the zircon in the subducted slab transforms into reidite at pressures of about 9 GPa, corresponding to a depth of 270 km. Reidite found in an upper Eocene impact ejecta layer in marine sediments is thought to have been transformed from zircon by a shock event. The peak pressure generated by the shock event in this occurrence is estimated to be higher than 8 GPa.Editorial responsibility: J. Hoefs     

A high P-T single-crystal X-ray diffraction study of thermoelasticity of MgSiO3 orthoenstatite

P-V-T data of MgSiO₃ orthoenstatite have been measured by single-crystal X-ray diffraction at simultaneous high pressures (in excess of 4.5 GPa) and temperatures (up to 1000 K). The new P-V-T data of the orthoenstatite, together with previous compression data and thermal expansion data, are described by a modified Birch-Murnaghan equation of state for diverse temperatures. The fitted thermoelastic parameters for MgSiO₃ orthoenstatite are: thermal expansion ?α/?P with values of a=2.86(29)×10^-5 K^-1 and b=0.72(16)×10^-8 K^-2; isothermal bulk modulus K _{T o} =102.8(2) GPa; pressure derivative of bulk modulus K′=?K/?P=10.2(1.2); and temperature derivative of bulk modulus K=?K/?T=-0.037(5) GPa/K. The derived thermal Grüneisen parameter is γ _th=1.05 for ambient conditions; Anderson-Grüneisen parameter is δ _{T o} =11.6, and the pressure derivative of thermal expansion is ?α/?P=-3.5×10^-6K^-1 GPa^-1. From the P-V-T data and the thermoelastic equation of state, thermal expansions at two constant pressures of 1.5 GPa and 4.0 GPa are calculated. The resulting pressure dependence of thermal expansion is Δα/ΔP=-3.2(1)× 10^-6 K^-1 GPa^-1. The significantly large values of K′, K, δ _T and ?α/?P indicate that compression/expansion of MgSiO₃ orthoenstatite is very sensitive to changes of pressure and temperature.     

High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor

The crystal structures of natural jadeite, NaAlSi₂O₆, and synthetic kosmochlor, NaCrSi₂O₆, were studied at room temperature, under hydrostatic conditions, up to pressures of 30.4 (1) and 40.2 (1) GPa, respectively, using single-crystal synchrotron X-ray diffraction. Pressure–volume data have been fit to a third-order Birch–Murnaghan equation of state yielding V ₀ = 402.5 (4) Å³, K ₀ = 136 (3) GPa, and K ₀ ^′  = 3.3 (2) for jadeite and V ₀ = 420.0 (3) Å³, K ₀ = 123 (2) GPa and K ₀ ^′  = 3.61 (9) for kosmochlor. Both phases exhibit anisotropic compression with unit-strain axial ratios of 1.00:1.95:2.09 for jadeite at 30.4 (1) GPa and 1:00:2.15:2.43 for kosmochlor at 40.2 (1) GPa. Analysis of procrystal electron density distribution shows that the coordination of Na changes from 6 to 8 between 9.28 (Origlieri et al. in Am Mineral 88:1025–1032, 2003) and 18.5 (1) GPa in kosmochlor, which is also marked by a decrease in unit-strain anisotropy. Na in jadeite remains six-coordinated at 21.5 (1) GPa. Structure refinements indicate a change in the compression mechanism of kosmochlor at about 31 GPa in both the kinking of SiO₄ tetrahedral chains and rate of tetrahedral compression. Below 31 GPa, the O3–O3–O3 chain extension angle and Si tetrahedral volume in kosmochlor decrease linearly with pressure, whereas above 31 GPa the kinking ceases and the rate of Si tetrahedral compression increases by greater than a factor of two. No evidence of phase transitions was observed over the studied pressure ranges.     

A study of synthetic and natural uranium oxides by X-ray photoelectron spectroscopy

Synthetic and natural uranium oxides UO _x (2≦×≦3) have been studied with X-ray photoelectron spectroscopy (XPS) to determine the phase composition and content of uranium ions in uraninites with a varying degree of oxidation. A strong hybridization of U_6p and O_2s orbitals has been found which permits a quantitative assessment of the U-O bond lengths. The values of such bonds in some substances have been found to be smaller than those in synthetic U(VI) oxide. The oxides U₂O₅ and U₃O₈ contain two types of uranium ions with a varying degree of oxidation.     

Equation of state of hexagonal aluminous phase in basaltic composition to 63 GPa at 300 K

A laser-heated diamond-anvil cell that is capable of operating up to a pressure of 63 GPa, with X-ray diffraction facilities using a synchrotron radiation source at the SPring-8, has been developed to observe the compressibility of a hexagonal aluminous phase, [K_0.15Na_1.66Ca_0.11Mg_1.29Fe²⁺ _0.86Al_3.13Ti_0.09Si_1.98] _Σ9.27O₁₂. The hexagonal aluminous phase is a potassium host mineral from the subducted oceanic crust in the Earth's lower mantle. A sample was heated using a YAG laser at each pressure increment to relax the deviatoric stress in the sample. X-ray diffraction measurements were carried out at 300 K using an angle-dispersive technique. Pressure was measured using an internal platinum pressure calibrant. The observed unit-cell volumes were used to obtain a third-order Birch–Murnaghan equation of state: unit-cell volume V _o=185.94(±16) ų, density ρ _o=4.145 g/cm³, and bulk modulus K _o=198(±3) GPa when the first pressure is derivative of the bulk modulus K ^′ _o is fixed to 4. The density of hexagonal aluminous phase is lower than that of coexisting Mg-perovskite in the subducted oceanic crust.     

The high-pressure and temperature equation of state of a majorite solid solution in the system of Mg4Si4O12-Mg3Al2Si3O12

The high-pressure and temperature equation of state of majorite solid solution, Mj_0.8Py_0.2, was determined up to 23 GPa and 773 K with energy-dispersive synchrotron X-ray diffraction at high pressure and high temperature using the single- and double-stage configurations of the multianvil apparatuses, MAX80 and 90. The X-ray diffraction data of the majorite sample were analyzed using the WPPD (whole-powder-pattern decomposition) method to obtain the lattice parameters. A least-squares fitting using the third-order Birch-Murnaghan equation of state yields the isothermal bulk modulus, K _T0  = 156 GPa, its pressure derivative, K′ = 4.4(±0.3), and temperature derivative (∂K _T /∂T) _P = −1.9(±0.3)× 10⁻² GPa/K, assuming that the thermal expansion coefficient is similar to that of pyrope-almandine solid solution. Received: 5 October 1998 / Revised, accepted: 24 June 1999     

High-temperature and high-pressure equation of state for the hexagonal phase in the system NaAlSiO4 – MgAl2O4

Thermal equation of state of an Al-rich phase with Na_1.13Mg_1.51Al_4.47Si_1.62O₁₂ composition has been derived from in situ X-ray diffraction experiments using synchrotron radiation and a multianvil apparatus at pressures up to 24 GPa and temperatures up to 1,900 K. The Al-rich phase exhibited a hexagonal symmetry throughout the present pressure–temperature conditions and the refined unit-cell parameters at ambient condition were: a=8.729(1) Å, c=2.7695(5) Å, V ₀=182.77(6) Å³ (Z=1; formula weight=420.78 g/mol), yielding the zero-pressure density ρ₀=3.823(1) g/cm³ . A least-square fitting of the pressure-volume-temperature data based on Anderson’s pressure scale of gold (Anderson et al. in J Appl Phys 65:1534–543, 1989) to high-temperature Birch-Murnaghan equation of state yielded the isothermal bulk modulus K ₀=176(2) GPa, its pressure derivative K ₀ ^′ =4.9(3), temperature derivative (?K _T /?T) _P =?0.030(3) GPa K^?1 and thermal expansivity α(T)=3.36(6)×10^?5+7.2(1.9)×10^?9 T, while those values of K ₀=181.7(4) GPa, (?K _T /?T) _P =?0.020(2) GPa K^?1 and α(T)=3.28(7)×10^?5+3.0(9)×10^?9 T were obtained when K ₀ ^′ was assumed to be 4.0. The estimated bulk density of subducting MORB becomes denser with increasing depth as compared with earlier estimates (Ono et al. in Phys Chem Miner 29:527–531 2002; Vanpeteghem et al. in Phys Earth Planet Inter 138:223–230 2003; Guignot and Andrault in Phys Earth Planet Inter 143–44:107–128 2004), although the difference is insignificant (<0.6%) when the proportions of the hexagonal phase in the MORB compositions (～20%) are taken into account.     

Sound velocities of Na0.4Mg0.6Al1.6Si0.4O4 NAL and CF phases to 73 GPa determined by Brillouin scattering method

The sound velocities of two aluminum-rich phases in the lower mantle, hexagonal new Al-rich phase (NAL) and its corresponding high-pressure polymorph orthorhombic Ca-ferrite-type phase (CF), were determined with the Brillouin scattering method in a pressure range from 9 to 73 GPa at room temperature. Both NAL and CF samples have identical chemical composition of Na_0.4Mg_0.6Al_1.6Si_0.4O₄ (40 % NaAlSiO₄–60 % MgAl₂O₄). Infrared laser annealing in the diamond anvil cell was performed to minimize the stress state of the sample and obtain the high-quality Brillouin spectra. The results show shear modulus at zero pressure G ₀ = 121.960 ± 0.087 GPa and its pressure derivative G’ = 1.961 ± 0.009 for the NAL phase, and G ₀ = 129.653 ± 0.059 GPa and G’ = 2.340 ± 0.004 for the CF phase. The zero-pressure shear velocities of the NAL and CF phases are obtained to be 5.601 ± 0.005 km/sec and 5.741 ± 0.001 km/sec, respectively. We also found that shear velocity increases by 2.5 % upon phase transition from NAL to CF at around 40 GPa.     

High-pressure phase relations in the system TiO2–ZrO2 to 12?GPa: stability of αPbO2-type srilankite solid solutions of (Ti1?x , Zr x )O2 (0?≤?x?≤?0.6)

Phase relations in the system TiO₂–ZrO₂ were examined in the pressure range of 3.5–12?GPa at 1,800?°C, using multianvil apparatus. At 1,800?°C, TiO₂ rutile transforms to αPbO₂ structure at 10?GPa, and the αPbO₂-type solid solution is stable in compositional range between TiO₂ and about (Ti_0.6, Zr_0.4)O₂ at 3.5–12?GPa. Combination of the present results with the published data at 0–3?GPa demonstrates that continuous solid solution with the αPbO₂-type structure is stable between TiO₂ and (Ti_1?x , Zr _x )O₂ (x?≈?0.6) at 0–12?GPa. This indicates that both the αPbO₂-type TiO₂ and srilankite Ti₂ZrO₆ with the same structure belong to the continuous solid solution system though the two phases have been regarded as different minerals. With increasing ZrO₂ content, lattice parameters of a- and c-axes of the αPbO₂-type solid solution increase, but b-axis is almost constant or slightly decreases. At higher pressure, the αPbO₂-type solid solution dissociates into two phases, αPbO₂-type phase and tetragonal zirconia. Srilankite with more TiO₂-rich composition than Ti₂ZrO₆ might be found in natural rocks derived from the deep upper mantle.     

P-V-T equation of state of magnesiowüstite (Mg0.6Fe0.4)O

The lattice parameter of magnesiowüstite (Mg_0.6Fe_0.4)O has been measured up to a pressure of 30 GPa and a temperature of 800 K, using an external heated diamond anvil cell and diffraction using X-rays from a synchrotron source. The experiments were conducted under quasi-hydrostatic condition, using neon as a pressure transmitting medium. The experimental P-V-T data were fitted to a thermal-pressure model with the isothermal bulk modulus at room temperature K _T0 = 157 GPa, (?K _TO /?P) _T =4, (?K _T /?T) _P =-2.7(3) × 10^-2 GPa/K, (?K _T /?T) _v =-0.2(2) × 10^-2 GPa/K and the Anderson-Grüneisen parameter δ _T =4.3(5) above the Debye temperature. The data were also fitted to the Mie-Grüneisen thermal equation of state. The least-squares fit yields the Debye temperature θ _DO = 500(20) K, the Grüneisen parameter γ ₀=1.50(5), and the volume dependence q=1.1(5). Both thermal-pressure models give consistent P-V-T relations for magnesiowüstite to 140 GPa and 4000 K. The P-V-T relations for magnesiowüstite were also calculate by using a modified high-temperature Birch-Murnaghan equation of state with a δ _t of 4.3. The results are consistent with those calculated by using the thermal-pressure model and the Mie-Grüneisen relation to 140 GPa and 3000 K.     

An X-ray photoelectron spectroscopic study of shock-loaded quartz

X-ray photoelectron spectra (XPS) for the Si 2p and O 1s signals of quartz recovered after shock-loading at pressures up to 55 GPa revealed the presence of stishovite in the pressure region between 10 and 34 GPa. The stishovite binding energy for both the Si 2p and O 1s is found to be independent of the shock stress level from which it is recovered. Moreover, the binding energy values obtained from 0.5 mm thick samples shocked in the laboratory for times of ca. 1 μs are equal, within experimental uncertainty, to stishovite produced by the Ries impact event. Variations of binding energies observed for the other phases (residual quartz and glass formed simultaneously with or by decomposition of stishovite) are discussed in the framework of previous results obtained by other methods such as X-ray diffraction and infrared spectroscopy. Although unequivocal interpretation of the variation in binding energy with exposure to different shock pressure is not always possible, the XPS method proves to be very well suited for recognition of high pressure phases and for distinction of pressure regions dominated by various shock or post-shock events.     

Thermoelastic properties of the high-pressure phase of SnO2 determined by in situ X-ray observations up to 30 GPa and 1400 K

 In situ synchrotron X-ray experiments in the system SnO₂ were made at pressures of 4–29 GPa and temperatures of 300–1400 K using sintered diamond anvils in a 6–8 type high-pressure apparatus. Orthorhombic phase (α-PbO₂ structure) underwent a transition to a cubic phase (Pa3ˉ structure) at 18 GPa. This transition was observed at significantly lower pressures in DAC experiments. We obtained the isothermal bulk modulus of cubic phase K ₀= 252(28) GPa and its pressure derivative K ^′=3.5(2.2). The thermal expansion coefficient of cubic phase at 25 GPa up to 1300 K was determined from interpolation of the P-V-T data obtained, and is 1.7(±0.7) × 10⁻⁵ K⁻¹ at 25 GPa. Received: 7 December 1999 / Accepted: 27 April 2000     

The compressibility of a natural apatite

In-situ synchrotron X-ray diffraction (XRD) experiments of a natural apatite with the formula of Ca₅(PO₄)₃F_0.94Cl_0.06 were carried out using a diamond anvil cell and angle-dispersive technique at Photon Factory (PF), Japan. Pressure–volume data were collected up to 7.12 GPa at 300 K. The pressures were determined from the ruby fluorescence spectra shift. The unit-cell parameters and volume decreased systematically with increasing pressure, and a reliable isothermal bulk modulus and its pressure derivative were obtained in this study. The third-order Birch–Murnaghan equation of state yielded the isothermal bulk modulus of K_T=91.5(38) GPa, its pressure derivative K_T= 4.0(11), and the zero-pressure volume V₀=524.2(3) ų.     

Structural change associated with the incommensurate-normal phase transition in akermanite, Ca2MgSi2O7, at high pressure

The structural changes associated with the incommensurate (IC)-normal (N) phase transition in akermanite have been studied with high-pressure single-crystal X-ray diffraction up to 3.79?GPa. The IC phase, stable at room pressure, transforms to the N phase at ～1.33?GPa. The structural transformation is marked by a small but discernable change in the slopes of all unit-cell parameters as a function of pressure. It is reversible with an apparent hysteresis and is classified as a tricritical phase transition. The linear compressibility of the a and c axes are 0.00280(10) and 0.00418(6)?GPa^?1 for the IC phase, and 0.00299(11) and 0.00367(8)?GPa^?1 for the N phase, respectively. Weighted volume and pressure data, fitted to a second-order Birch-Murnaghan equation of state (K′≡4.0), yield V₀=307.4(1)?ų and K₀=100(3)?GPa for the IC phase and V₀=307.6(2)?ų and K₀=90(2)?GPa for the N phase. No significant discontinuities in Si–O, Mg–O and Ca–O distances were observed across the transition, except for the Ca–O1 distance, which is more compressible in the IC phase than in the N phase. From room pressure to 3.79?GP the volume of the [SiO₄] tetrahedron is unchanged (2.16?ų), whereas the volumes of the [MgO₄] and [CaO₈] polyhedra decrease from 3.61 to 3.55(1)?ų and 32.8 to 30.9(2)?ų, respectively. Intensities of satellite reflections are found to vary linearly with the isotropic displacement parametr of Ca and the librational amplitude of the [SiO₄] tetrahedron. At room pressure, there is a mismatch between the size of the Ca cations and the configuration of tetrahedral sheets, which appears to be responsible for the formation of the modulated structure; as pressure increases, the misfit is diminished through the relative rotation and distortion of [MgO₄] and [SiO₄] tetrahedra and the differential compression of individual Ca–O distances, concurrent with a displacement of Ca along the (110) mirror plane toward the O1 atom. We regard the high-pressure normal structure as a result of the elimination of microdomains in the modulated structure.