Dislocations, linear defects in a crystalline lattice characterized by their slip systems, can provide a record of grain internal deformation. Comprehensive examination of this record has been limited by intrinsic limitations of the observational methods. Transmission electron microscopy reveals individual dislocations, but images only a few square \(\upmu\)m of sample. Oxidative decoration requires

We investigated the 300 K high-pressure behavior of ilmenite using Raman spectroscopy to 54 GPa. Upon compression, we observe a Fermi resonance between the lowest frequency Ag symmetry peaks (ν4 and ν5) between ~ 10 and ~ 30 GPa: bands that involve major components of Ti–O and Fe–O-related displacements, respectively. The peaks’ relative intensities switch at ~ 18 GPa and they also reach their minimum

The origin of gamma irradiation-induced strong yellow color in brazilianite from Brazil is investigated. The irradiation-induced optical absorption band responsible for the color shows an onset in the blue spectral region at about 2.5 eV and maximum centered in the UV at ~ 4.24 eV. From the ratio between the squared value of the line width (W2) and the peak energy (M), a value of about 0.09 eV is estimated

The thermal behaviour of a natural allanite-(Ce) has been investigated up to 1073 K (at room pressure) by means of in situ synchrotron powder X-ray diffraction and single-crystal neutron diffraction. Allanite preserves its crystallinity up to 1073 K. However, up to 700 K, the thermal behaviour along the three principal crystallographic axes, of the monoclinic β angle and of the unit-cell volume follow

We have systematically investigated the high-pressure and high-temperature stability of Al-bearing dense hydrous magnesium silicate phases (DHMSs) in natural chlorite compositions containing ~ 16 wt% H2O and ~ 14 wt% Al2O3 between 14 and 25 GPa at 800–1600 °C by an MA8-type multi-anvil apparatus. A chemical mixture similar to Fe-free chlorite was also investigated for comparison. Following the pressure–temperature

Nickel sulfides are common in nature, and have been found in mantle-related rocks and xenoliths. Their properties exhibit significant differences with silicates in density, conductivity, and elasticity, and may be responsible for the geophysical anomalies in the upper mantle. Whether there is a difference in thermodynamic properties between sulfides and silicates in the upper mantle is not yet known

Superhydrous phase B is an important dense hydrous magnesium silicate (DHMS) phase in a hydrous peridotite system for understanding the deep water cycle in the Earth’s interior. A large amount of Al can be substituted in the crystal structure of superhydrous phase B, but its position in the crystal structure has yet to be determined. Here, we investigated the crystal structure of Al-bearing superhydrous

In this work, five Mg-silicate glasses with compositions between MgSiO\(_3\) and Mg\(_2\)SiO\(_4\) were synthesized by aerodynamic levitation combined with laser melting. Low-temperature heat capacity (\(C_p\)) was measured (by relaxation calorimetry in the range 2–310 K) for all of them, with the resulting vibrational entropies at T = 298.15 K: sample MG50 with composition Mg\(_{0.996}\)SiO\(_{2.996}\)

Diffusion of hydrogen in natural alkali feldspars (Eifel sanidine and adularia from unknown locality) containing strongly bonded OH defects was investigated by D/H isotope exchange in the T range 600–1050 °C at ambient pressure and at elevated pressures up to 8 kbar. Runs at 1 atm were performed in a fused silica tube connected to a liquid D2O reservoir at room temperature. In the high- pressure experiments

Phase relations of the Al2O3–SiO2 system were determined by multi-anvil experiments at pressures of 13–21 GPa and temperatures of 2300–2800 K. We obtained a new high-pressure Al2Si2O7 phase (227-phase), which possesses a triclinic unit cell (Z = 3) with a = 7.0237(12) Å, b = 7.1002(14) Å, c = 6.6729(10) Å, α = 103.466(15)°, β = 99.107(15)°, γ = 60.542(12)°, and V = 281.41(24) Å3, in addition to the

Effects of Fe ↔ Al substitution on triclinic SFCA-I-type compounds with general formula A40O56 (A: Ca, Al, Fe3+, Fe2+) have been studied using single-crystal X-ray diffraction. Crystals of sufficient quality and size were synthesized in the temperature range between 1200 and 1300 °C. Six samples with Al/FeTot ratios of 0.127, 0.173, 0.216, 0.310, 0.349 and 0.459 have been structurally characterized

The thermal behaviour of a fluor-elbaite from Minas Gerais (Brazil) was investigated at room pressure through in situ high-temperature X-ray powder diffraction (HT-XRPD), until the breakdown conditions were reached. The variations of fluor-elbaite structural parameters (unit-cell parameters and mean bond distances) were monitored together with site occupancies, and two main internal reactions were

Zeolites show remarkable properties that can be tuned through cation exchange of their original extraframework content. In this respect, the response of the modified zeolite to the heating stimuli, in terms of structural modifications and thermal stability, can drastically change and is, therefore, an important factor to consider. In this study, the dehydration mechanism of a natural levyne previously

The structure and stability of pyrite (100), (210), (110), and (111) surfaces in different sulfur conditions were studied in the framework of GGA(PBE) + U implementations of density functional calculations. The Hubbard U correction was found to be a critical parameter in density functional theory (DFT) calculations to describe pyrite surfaces. With the U correction, the surface energy order for stoichiometric

Rana track annealing model 2007, based on an Arrhenius approach, is significantly modified, including new assumptions, fitting parameters, and analysis, to yield a new phenomenological model for annealing of fission tracks in apatite. Construction and optimization of the new six parameter model have been described in detail. The model shows a hybrid behavior. In Arrhenius plot, for higher temperatures

The non-smooth, jerky movements of microstructures under external forcing in minerals are explained by avalanche theory in this review. External stress or internal deformations by impurities and electric fields modify microstructures by typical pattern formations. Very common are the collapse of holes, the movement of twin boundaries and the crushing of biominerals. These three cases are used to demonstrate

The synthetic nosean- and haüyne-like aluminosilicates with (MoO4)2− and (WO4)2− extra-framework anions were synthesized in H2O-bearing systems (3 kbar, 750 °C) and studied by means of electron microprobe analysis, Raman spectroscopy, powder and single-crystal X-ray diffraction. The nosean-like phase contains up to 10.6 wt% MoO3 and up to 5.1 wt% WO3; the maximum content of MoO3 in the haüyne-like

Determining the Mn valence variation at the nanometer scale will be an important advance in the study of heterogeneous natural silicates. Here, the potential of the scanning transmission X-ray microscopy at the Mn L2,3-edges (640–655 eV) as a probe for manganese redox state is evaluated. For this purpose, several natural Mn-silicates (rhodonite, ardennite, piemontite, Mn4+-silicate, jacobsite) were

P–V–T equations of state (EoS) of synthetic garnet solid solutions with ternary grossular–almandine–pyrope compositions relevant to the Earth’s upper mantle have been determined in order to examine whether garnet properties can be accurately interpolated from those of the end-members. Volumes have been measured as a function of pressure using single-crystal X-ray diffraction measurements performed

Carbonate minerals have been playing an important role in determining the history of the earth's atmosphere, geology, and hydrology and have received extensive attention. In this study, infrared spectral characteristics and infrared radiation properties of four carbonate minerals (calcite, rhodochrosite, siderite, magnesite) were highlighted and investigated by using X-ray diffraction (XRD), X-ray

The thermodynamic properties of the kotulskite (PdTe)/merenskyite (PdTe2) equilibrium in the Ag-Pd-Te system were determined for the first time by the electromotive force (EMF) method. The thermodynamic properties were calculated from the temperature dependence of the EMF in a completely solid-state electrochemical cell with a common gas space:\(\left( - \right){\text{C}}_{{({\text{graphite}})}} \left|

Two specimens of alluaudite-group minerals, badalovite NaNaMg(Mg,Fe3+)2(AsO4)3 and calciojohillerite NaCaMgMg2(AsO4)3, were taken on the Second scoria cone of the Great fissure Tolbachik eruption, Kamchatka Peninsula, Russia. The crystal structures of these monoclinic minerals have been refined by single-crystal X-ray diffraction. The thermal expansion of badalovite and calciojohillerite has been studied

Droplet-like exogenic fulgurites comprise a minor grouplet of natural glasses resulting from powerful lightning strikes. Reports on such type-V fulgurites are scarce in the literature. In this work, a fulgurite specimen from the thunderstorm that took place on 10th August 2013, in Dallas, TX, USA, has been analyzed using X-ray powder diffraction, X-ray fluorescence, scanning electron microscopy, energy-dispersive

In the equation of the crystal-field theory \(\Delta = \frac{{Q \cdot \langle r^{4} \rangle }}{{\overline{R}{^5} }}\), where Δ is the crystal-field splitting, \(\overline{R}\) is the mean metal–ligand distance in the 3dN-ion-centered coordination polyhedron and Q is constant, \(\langle r^{4} \rangle\), the mean value of the fourth power of the 3d-electron radius, is assumed to be also constant (Burns

Iron meteorites record the evolutionary and cosmochemical processes of their parent bodies. Fe–Ni phases in iron meteorites show complex textures from various thermal histories of parent bodies as well as the phase relationships and crystal chemistry of Fe–Ni metal. Synchrotron radiation-based X-ray absorption fine structure spectra and X-ray diffraction were applied herein to the study of iron meteorite

Perrierite-(Ce) crystals from ejecta of the Laacher See volcano, Eifel, in Germany were studied by X-ray single-crystal diffraction and electron microprobe analysis. The composition and crystal structure of this sample is discussed in relation to the known properties of the chevkinite group minerals and related synthetic compounds. Taking into account the modular character of the chevkinite minerals

We report the results of an experimental multianalytical characterisation of industrial cristobalite powders, used as raw materials for artificial stone production. Cristobalite is considered a serious threat to human health. The study was carried out through X-ray diffraction (XRD), scanning electron microscopy with energy dispersive microanalysis (SEM/EDS), continuous-wave (cw) and pulse electron

Hydrogen defects can strongly affect mechanical and chemical properties of feldspars. To get insight into the behavior of such defects, alkali feldspar and plagioclase of igneous origin were studied combining IR spectroscopy with heating experiments under well-controlled conditions. Near-infrared spectra show that OH groups are the predominant hydrous species in these feldspars but presence of minor

Here, we present new measurements of the phase stability and lattice compressibility of gaspéite (NiCO 3 ) to 50 GPa. Our study is motivated by our interest in understanding high-pressure carbonate behavior. While carbonates have been extensively studied under high-pressure and -temperature conditions, they exhibit different behaviors. We have studied the high-pressure behavior of gaspéite using diamond

Severe structural damage in Cr- and V-bearing clinozoisite (Czo) from the Outokumpu copper mine, Finland, was discovered by Nagashima et al. (Eur J Miner 23:731–743, 2011). Single-crystal X-ray and electron diffraction patterns indicated moderate-to-very-poor structural coherency, suggesting a high density of faults in the translational symmetry. However, the poor crystallinity cannot be attributed

Natural stilbite, Ca 4.00 Na 1.47 (H 2 O) 30 [Al 9.47 Si 26.53 O 72 ], space group F 2/ m , a = 13.5978(3), b = 18.2804(4), c = 17.8076(4) Å, β = 90.685(2)°, V = 4426.18(17) Å 3 , Z = 2, has been studied by single-crystal X-ray diffraction method at ambient conditions and under compression in penetrating (water-bearing) and non-penetrating (paraffin) media. In water-containing medium during the first

Anhydrous sulfate minerals are abundant in the active fumaroles with highly oxidizing conditions on the scoria cones of the Tolbachik volcano. The mineral itelmenite, ideally Na 2 CuMg 2 (SO 4 ) 4 , containing isomorphous admixture of Zn, was described in 2018, whereas glikinite, ideally Zn 3 O(SO 4 ) 2 , was described in 2020. Synthetic analogs of both minerals were obtained during studies of phase

This paper discusses the effects of composition on the unit cell parameter ( a ), unit cell volume ( V ), specific volume ( v ), and density ( ρ ) of various sodalites including $${M}_{8}^{+}{\left({\mathrm{AlSiO}}_{4}\right)}_{6}{\mathrm{Cl}}_{2}$$ M 8 + AlSiO 4 6 Cl 2 ( M = Li, Na, K, Rb, and/or Ag) and $${\mathrm{Na}}_{8}{\left({\mathrm{AlSiO}}_{4}\right)}_{6}{X}_{2}^{-}$$ Na 8 AlSiO 4 6 X 2 - (

The thermal expansion of orthorhombic CaFe 2 O 4 -type β-CaCr 2 O 4 , ellinaite, was studied by high temperature in-situ synchrotron X-ray diffraction measurements in the temperature range of 301–973 K at atmospheric pressure. Based on the obtained data, the thermal expansion coefficients of β-CaCr 2 O 4 were determined as 2.84(3) × 10 –5 K −1 , 1.08(1) × 10 –5 K −1 , 0.79(1) × 10 –5 K −1 , 0.99(1) × 10

Zeolites are aluminosilicate minerals with multiple channels and cages. They are widely used in industry; further, owing to its increasing demand, the hydrothermal synthesis of zeolites from natural minerals/rocks has attracted great attention. This study aims to discuss the crystal growth mechanisms of zeolites from pumice. Pumice is a widely available porous volcanic glass (mainly consisting of 65–75%

Experimentally, silica activity (aSiO2) has been shown to have an effect on Mg diffusion in forsterite, but no fully satisfactory mechanism has yet been proposed. We calculated the effects of aSiO2 and aluminium content (the main contaminant in some recent experimental studies), and their co-effect, on Mg diffusion in forsterite, using thermodynamic minimisations of defect formation energies [calculated

The previously unknown crystal structure of pingguite was determined and refined from laboratory X-ray powder diffraction data using a synthetic sample. Additional single crystal diffraction of natural pingguite confirms that the crystal structure of the synthetic sample is identical to the natural mineral. This new crystal structure calls for a revised chemistry of the rare mineral pingguite to Bi

The present work reports the crystal-chemical characterization of micas from the Monte Arsiccio and Buca della Vena mines (Apuan Alps, Italy) through electron microprobe analysis, single-crystal X-ray diffraction, and Raman spectroscopy. The sample from the Monte Arsiccio mine can be classified as an intermediate member of the yangzhumingite-fluorophlogopite series, with average crystal-chemical formula

We performed deformation experiments on dry natural single crystals of magnetite and ilmenite to determine the rheological behavior of these oxide minerals as a function of temperature, orientation, and oxygen fugacity. Samples were deformed at temperatures of 825–1150 ∘\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy}

Core-level and valence-band X-ray photoelectron spectroscopy was employed to study the dose-dependent radiation effects in the short-range order and the electronic structure of natural U, Th-bearing zircon near-surface layers. Single crystals from different localities (Ratanakiri, Cambodia; Mud Tank, Australia; Highlands, Sri Lanka) exhibiting wide variations in the accumulated radiation dose D≈(0 ÷ 9

The high-pressure behaviour of meyerhofferite [ideally Ca2B6O6(OH)10·2(H2O), with a ~ 6.63 Å, b ~ 8.34 Å, c ~ 6.47 Å, α = 90.8°, β = 102°, γ = 86.8°, Sp. Gr. P1¯\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\overline

The new crichtonite-group mineral saranovskite, ideally SrCaFe2+2(Cr4Ti2)Ti12O38, was discovered in the Glavnoe Saranovskoe deposit, Middle Urals, Russia, and named after the type locality. The associated minerals are chromite, Cr-bearing clinochlore, and calcite. Saranovskite forms black crude equant crystals about 2 mm across. The lustre is submetallic, and the streak is brownish-gray. Cleavage is

The structural parameters and the thermal behavior of a complete series of Ca–Mg carbonates synthesized at high pressure and temperature (1–1.5 GPa, 1273–1373 K) in the range 0–50 mol% MgCO3 have been investigated by in situ powder synchrotron high-resolution X-ray diffraction at ambient and up to 1073 K under self-controlled CO2 partial pressure. The crystal structures are disordered Mg calcite in

The influence of mole fraction and nature of the cations in positions [8]A and [6]B of the pyrochlores containing Na+, Ca2+, Cd2+, U4+, Nb5+, Ta5+, Ti4+, Sb5+, Zr4+, V3+, V4+, W5+, W6+ synthesized under hydrothermal conditions at 800 °C, 200 MPa and controlled oxygen fugacity in NaF solution of 1.0 mol·kg−1 H2O on lattice parameters has been considered. The unit cell parameters of the fluorpyrochlores

Natural radiation-induced red fluorescence of fluorite consists of two broad bands at 750 and 635 nm with very short decay times of 20.3 and less than 5 ns, respectively. The first one is connected to an M center compensated by Na, while the second is connected to an M+ center, possibly formed as result of the M center’s destruction by UV irradiation. The optically active centers in naturally irradiated

The elastic behavior of low albite is investigated ab initio under hydrostatic pressure up to 16 GPa. Our calculations complement and extend previous studies confirming a highly anisotropic character of the feldspar cell compression and, more importantly, revealing a clear change of all structure deformation trends around 8–9 GPa pressure. We correlate this change to the trend of the bulk modulus of

Three new borate minerals rhabdoborite-(V), rhabdoborite-(Mo) and rhabdoborite-(W), forming the rhabdoborite group, are found in the Arsenatnaya fumarole, Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. They are closely associated with each other and anhydrite, diopside, hematite, schäferite, berzeliite, svabite, calciojohillerite

In the present work, the oxidation and spin state of Fe and the local structure around Fe in the supercapacitor birnessite with different contents of the Fe dopant were investigated using Mossbauer spectroscopy. It was found that Fe ions were exclusively present as high spin Fe3+ in octahedral coordination with about 70% iron occupying the Mn3+ positions and about 30% iron occupying the Mn4+ positions

We report in this paper a new crystal-chemical study of synthetic basic ferric sulfate FeOHSO4. The structure solution performed by the Endeavour program, from new X-ray powder diffraction (XRPD) data, indicated that the correct space group of the monoclinic polytype of FeOHSO4 is C2/c. Selected Area Electron Diffraction (SAED) patterns are also consistent with this structure solution. The arrangement

The high-pressure behavior of manganese diselenide MnSe2 was investigated by synchrotron angle-dispersive X-ray diffraction (ADXRD) and infrared reflection spectroscopy equipped with a diamond-anvil cell. It was found that MnSe2 with a pyrite-type structure undergoes a transformation into a disordered intermediate phase at ~ 12.5 GPa, with a ground state composed of an arsenopyrite-type structure,

The valence and spin states of Fe in (Fe,Al)-bearing bridgmanite (bdg) affect its physical properties, which is important for the interpretation of geophysical observations. Currently, tens of studies on the compressibility and spin states of Fe-bearing bdg have been reported. A consensus is that Fe-bearing bdg shows spin transition, which affects its elastic parameters. However, there is a conflict

Metal halide perovskites have attracted great attention in the past decade due to unique and tunable optical and electrical properties, which are promising candidates for various applications such as solar cells, light-emitting diodes, and laser cooling devices. For cubic perovskites, the lattice constant, a, representing the size of the unit cell, has a significant impact on the structural stability

The free energy of binding between a cation vacancy and charge-balancing tetravalent cation in MgO is calculated from molecular dynamics simulations, at temperatures of 1200–2400 K and pressures of 0–25 GPa. The entropy of binding, obtained from the temperature dependence of the binding free energy, is found to be independent of pressure and to have a value of 13(5) J/mol K (2σ). The binding volume

Phase relations of NaAl3Si3O11 and NaAlSi3O8 were explored at pressures of 20.5–23.5 GPa and temperatures of 2373 and 2573 K by multianvil experiments. For NaAl3Si3O11, a new phase, which is tentatively named NAS phase, was obtained at 22.5 GPa, 2373 and 2573 K and also at 23.5 GPa, 2573 K. NAS phase was found to be isostructural to CaAl4Si2O11 (CAS) phase, but have smaller lattice parameters. The

A new alluaudite-group mineral zincobradaczekite, a Zn–Cu ordered highly zincian analogue of bradaczekite, was discovered in sublimates of the Yadovitaya fumarole at the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. It is associated with bradaczekite, lammerite, lammerite-β, borisenkoite, mcbirneyite, sanidine, hematite

We present a model for multicomponent diffusion in ionic crystals. The model accounts for vacancy-mediated diffusion on a sub-lattice and for diffusion due to binary exchange of different ionic species without involvement of vacancies on the same sub-lattice. The diffusive flux of a specific ionic species depends on the self-diffusion coefficients, on the diffusion coefficients related to the binary

The pressure dependence of the polarized Raman scattering of quartz was studied under hydrostatic conditions up to 9 GPa. We extended the available pressure calibrations, usually limited to the two most intense peaks, to a larger number of modes, providing polynomial functions that describe the relationship between pressure P and wavenumber shift Δω\documentclass[12pt]{minimal} \usepackage{amsmath}

The kinetics of serpentinization were investigated at 400–500 °C and 3.0–20 kbar using natural olivine and peridotite for run durations of 9–38 days. The serpentine varieties were lizardite for all the experiments. The serpentinization kinetics at 400 °C and 3.0 kbar and at 500 °C and 20 kbar displayed a sigmoidal kinetic behavior, with very sluggish reaction rates at the early stage of serpentinization

The thermodynamics of the system Fe–Si–O under high pressure ( P ) and temperature ( T ) was examined, starting with modelling the phase transition between a face-centred cubic (fcc) and hexagonal close-packed (hcp) structure in Fe–Si alloy which was previously examined by experiment under high P – T conditions. The mixing properties of Fe and Si for the iron phases were found to be approximated by

Natural diamond remains the source of many interesting effects and finds that are difficult to reproduce or detect in synthetic crystals. Herein, we investigate the photoluminescence (PL) of more than 2000 natural diamonds in the range 800–1050 nm. PL spectra were registered with excitation at 405, 450, 488 (Ar+), and 787 nm. The investigation revealed several systems that were not previously described