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1.
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2.
Study of intact rock failure criteria is an important topic in rock mechanics. In this study, applicability of nine different intact rock failure criteria is investigated for intact coal strength data. PFC3D modeling was used to simulate the laboratory polyaxial tests for cubic intact coal blocks of side dimension 110 mm under different confining stress combinations. A modified grid search procedure is proposed and used to find the best-fitting parameter values and to calculate the coefficient of determination (R 2) values for each criterion. Detailed comparisons of the nine criteria are made using the following aspects: R 2 values, σ 1 ? σ 2 plots for different σ 3, shapes on the deviatoric plane, linearity or nonlinearity on the meridian planes. Through the comparisons of R 2 values, σ 1 ? σ 2 plots and meridian lines, the modified Wiebols–Cook and modified Lade criteria were found to fit the intact coal strength data best. The nine failure criteria are categorized into three types based on the appearances on the deviatoric plane.  相似文献   

3.
In this study, the seismicity rate changes that can represent an earthquake precursor were investigated along the Sagaing Fault Zone (SFZ), Central Myanmar, using the Z value technique. After statistical improvement of the existing seismicity data (the instrumental earthquake records) by removal of the foreshocks and aftershocks and man-made seismicity changes and standardization of the reported magnitude scales, 3574 earthquake events with a M w ≥ 4.2 reported during 1977–2015 were found to directly represent the seismotectonic activities of the SFZ. To find the characteristic parameters specifically suitable for the SFZ, seven known events of M w ≥ 6.0 earthquakes were recognized and used for retrospective tests. As a result, utilizing the conditions of 25 fixed earthquake events considered (N) and a 2-year time window (T w), a significantly high Z value was found to precede most of the M w ≥ 6.0 earthquakes. Therefore, to evaluate the prospective areas of upcoming earthquakes, these conditions (N = 25 and T w = 2) were applied with the most up-to-date seismicity data of 2010–2015. The results illustrate that the vicinity of Myitkyina and Naypyidaw (Z = 4.2–5.1) cities might be subject to strong or major earthquakes in the future.  相似文献   

4.
The crystal chemistry and the elastic behavior under isothermal conditions up to 9 GPa of a natural, and extremely rare, 3T-phlogopite from Traversella (Valchiusella, Turin, Western Alps) [(K0.99Na0.05Ba0.01)(Mg2.60Al0.20Fe 0.21 2+ )[Si2.71Al1.29O10](OH)2, space group P3112, with a = 5.3167(4), c = 30.440(2) Å, and V = 745.16(9) ų] have been investigated by electron microprobe analysis in wavelength dispersion mode, single-crystal X-ray diffraction at 100 K, and in situ high-pressure synchrotron radiation powder diffraction (at room temperature) with a diamond anvil cell. The single-crystal refinement confirms the general structure features expected for trioctahedral micas, with the inter-layer site partially occupied by potassium and sodium, iron almost homogeneously distributed over the three independent octahedral sites, and the average bond distances of the two unique tetrahedra suggesting a disordered Si/Al-distribution (i.e., 〈T1-O〉 ~ 1.658 and 〈T2-O〉 ~ 1.656 Å). The location of the H-site confirms the orientation of the O–H vector nearly perpendicular to (0001). The refinement converged with R 1(F) = 0.0382, 846 unique reflections with F O > 4σ(F O) and 61 refined parameters, and not significant residuals in the final difference-Fourier map of the electron density (+0.77/?0.37 e ?/Å3). The high-pressure experiments showed no phase transition within the pressure range investigated. The P–V data were fitted with a Murnaghan (M-EoS) and a third-order Birch-Murnaghan equation of state (BM-EoS), yielding: (1) M-EoS, V 0 = 747.0(3) Å3, K T0 = 44.5(24) GPa, and K′ = 8.0(9); (2) BM-EoS, V 0 = 747.0(3) Å3, K T0 = 42.8(29) GPa, and K′ = 9.9(17). A comparison between the elastic behavior in response to pressure observed in 1M- and 3T-phlogopite is made.  相似文献   

5.
The purpose of this study is to quantify the magnitudes of surface conduction and pore water conduction from the measured electrical conductivity of kaolinite, with the ultimate goal of estimating the electrical conductivity of kaolinite with a wide range of pore water conductivities (σ w = 0.013–3.356 S/m) and porosities (n = 0.368–1.0). Therefore, the theoretical background of the electrical conductivity in soils was reviewed, and electrical conductivity measurements on kaolinite were performed using both slurry and consolidation tests in this study. The results of this study demonstrate that the variations of measured electrical conductivity (σ mix) with n are debatable according to the values of σ w, because a decrease in n results in both an increase in surface conduction (K s) and a decrease in pore water conduction (K w); this causes the relative magnitude of K s compared to that of K w to vary with σ w and n. Consequently, this study develops the relation between the porosity-normalized K s/K w and 1/σ w. Additionally, the surface conductivity of the tested kaolinite is back-calculated and compared with the previous relationship between K s and zeta potential of kaolinite. The measured and estimated σ mix values are compared with the varying pore water conductivity and porosity values.  相似文献   

6.
The high-pressure behavior of a vanadinite (Pb10(VO4)6Cl2, a = b = 10.3254(5), c = 7.3450(4) Å, space group P63/m), a natural microporous mineral, has been investigated using in-situ HP-synchrotron X-ray powder diffraction up to 7.67 GPa with a diamond anvil cell under hydrostatic conditions. No phase transition has been observed within the pressure range investigated. Axial and volume isothermal Equations of State (EoS) of vanadinite were determined. Fitting the P–V data with a third-order Birch-Murnaghan (BM) EoS, using the data weighted by the uncertainties in P and V, we obtained: V 0 = 681(1) Å3, K 0 = 41(5) GPa, and K′ = 12.5(2.5). The evolution of the lattice constants with P shows a strong anisotropic compression pattern. The axial bulk moduli were calculated with a third-order “linearized” BM-EoS. The EoS parameters are: a 0 = 10.3302(2) Å, K 0(a) = 35(2) GPa and K′(a) = 10(1) for the a-axis; c 0 = 7.3520(3) Å, K 0(c) = 98(4) GPa, and K′(c) = 9(2) for the c-axis (K 0(a):K 0(c) = 1:2.80). Axial and volume Eulerian-finite strain (fe) at different normalized stress (Fe) were calculated. The weighted linear regression through the data points yields the following intercept values: Fe a (0) = 35(2) GPa for the a-axis, Fe c (0) = 98(4) GPa for the c-axis and Fe V (0) = 45(2) GPa for the unit-cell volume. The slope of the regression lines gives rise to K′ values of 10(1) for the a-axis, 9(2) for the c-axis and 11(1) for the unit cell-volume. A comparison between the HP-elastic response of vanadinite and the iso-structural apatite is carried out. The possible reasons of the elastic anisotropy are discussed.  相似文献   

7.
The stress regime in a Rotliegend reservoir of the Northeast German Basin   总被引：2，自引：0，他引：2  
In-situ stresses have significant impact, either positive or negative, on the short and long term behaviour of fractured reservoirs. The knowledge of the stress conditions are therefore important for planning and utilization of man-made geothermal reservoirs. The geothermal field Groß Schönebeck (40 km north of Berlin/Germany) belongs to the key sites in the northeastern German Basin. We present a stress state determination for this Lower Permian (Rotliegend) reservoir by an integrated approach of 3D structural modelling, 3D fault mapping, stress ratio definition based on frictional constraints, and slip-tendency analysis. The results indicate stress ratios of the minimum horizontal stress S hmin being equal or increasing 0.55 times the amount of the vertical stress S V (S hmin ≥ 0.55S V ) and of the maximum horizontal stress S Hmax ≤ 0.78–1.00S V in stress regimes from normal to strike slip faulting. Thus, acting stresses in the 4,100-m deep reservoir are S V  = 100 MPa, S hmin = 55 MPa and S Hmax = 78?100 MPa. Values from hydraulic fracturing support these results. Various fault sets of the reservoir are characterized in terms of their potential to conduct geothermal fluids based on their slip and dilatation tendency. This combined approach can be adopted to any other geothermal site investigation.  相似文献   

8.
The elastic and structural behaviour of the synthetic zeolite CsAlSi5O12 (a = 16.753(4), b = 13.797(3) and c = 5.0235(17) Å, space group Ama2, Z = 2) were investigated up to 8.5 GPa by in situ single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions. No phase-transition occurs within the P-range investigated. Fitting the volume data with a third-order Birch–Murnaghan equation-of-state gives: V 0 = 1,155(4) Å3, K T0 = 20(1) GPa and K′ = 6.5(7). The “axial moduli” were calculated with a third-order “linearized” BM-EoS, substituting the cube of the individual lattice parameter (a 3, b 3, c 3) for the volume. The refined axial-EoS parameters are: a 0 = 16.701(44) Å, K T0a = 14(2) GPa (βa = 0.024(3) GPa?1), K′ a = 6.2(8) for the a-axis; b 0 = 13.778(20) Å, K T0b = 21(3) GPa (βb = 0.016(2) GPa?1), K′ b = 10(2) for the b-axis; c 0 = 5.018(7) Å, K T0c = 33(3) GPa (βc = 0.010(1) GPa?1), K′ c = 3.2(8) for the c-axis (K T0a:K T0b:K T0c = 1:1.50:2.36). The HP-crystal structure evolution was studied on the basis of several structural refinements at different pressures: 0.0001 GPa (with crystal in DAC without any pressure medium), 1.58(3), 1.75(4), 1.94(6), 3.25(4), 4.69(5), 7.36(6), 8.45(5) and 0.0001 GPa (after decompression). The main deformation mechanisms at high-pressure are basically driven by tetrahedral tilting, the tetrahedra behaving as rigid-units. A change in the compressional mechanisms was observed at P ≤ 2 GPa. The P-induced structural rearrangement up to 8.5 GPa is completely reversible. The high thermo-elastic stability of CsAlSi5O12, the immobility of Cs at HT/HP-conditions, the preservation of crystallinity at least up to 8.5 GPa and 1,000°C in elastic regime and the extremely low leaching rate of Cs from CsAlSi5O12 allow to consider this open-framework silicate as functional material potentially usable for fixation and deposition of Cs radioisotopes.  相似文献   

9.
This paper presents an experimental investigation revisiting the anisotropic stress–strain–strength behaviour of geomaterials in drained monotonic shear using hollow cylinder apparatus. The test programme has been designed to cover the effect of material anisotropy, preshearing, material density and intermediate principal stress on the behaviour of Leighton Buzzard sand. Experiments have also been performed on glass beads to understand the effect of particle shape. This paper explains phenomenological observations based on recently acquired understanding in micromechanics, with attention focused on strength anisotropy and deformation non-coaxiality, i.e. non-coincidence between the principal stress direction and the principal strain rate direction. The test results demonstrate that the effects of initial anisotropy produced during sample preparation are significant. The stress–strain–strength behaviour of the specimen shows strong dependence on the principal stress direction. Preloading history, material density and particle shape are also found to be influential. In particular, it was found that non-coaxiality is more significant in presheared specimens. The observations on the strength anisotropy and deformation non-coaxiality were explained based on the stress–force–fabric relationship. It was observed that intermediate principal stress parameter b(b = (σ 2 ? σ 3)/(σ 1 ? σ 3)) has a significant effect on the non-coaxiality of sand. The lower the b-value, the higher the degree of non-coaxiality is induced. Visual inspection of shear band formed at the end of HCA testing has also been presented. The inclinations of the shear bands at different loading directions can be predicted well by taking account of the relative direction of the mobilized planes to the bedding plane.  相似文献   

10.
Since cross-anisotropic sand behaves differently when the loading direction or the stress state changes, the influences of the loading direction and the intermediate principal stress ratio (b = (σ 2 ? σ 3)/(σ 1 ? σ 3)) on the initiation of strain localization need study. According to the loading angle (angle between the major principal stress direction and the normal of bedding plane), a 3D non-coaxial non-associated elasto-plasticity hardening model was proposed by modifying Lode angle formulation of the Mohr–Coulomb yield function and the stress–dilatancy function. By using bifurcation analysis, the model was used to predict the initiation of strain localization under plane strain and true triaxial conditions. The predictions of the plane strain tests show that the major principal strain at the bifurcation points increases with the loading angle, while the stress ratio decreases with the loading angle. According to the loading angle and the intermediate principal stress ratio, the true triaxial tests were analyzed in three sectors. The stress–strain behavior and the volumetric strain in each sector can be well captured by the proposed model. Strain localization occurs in most b value conditions in all three sectors except for those which are close to triaxial compression condition (b = 0). The difference between the peak shear strength corresponding to the strain localization and the ultimate shear strength corresponding to plastic limit becomes obvious when the b value is near 0.4. The influence of bifurcation on the shear strength becomes weak when the loading direction changes from perpendicular to the bedding plane to parallel. The bifurcation analysis based on the proposed model gives out major principal strain and peak shear strength at the initiation of strain localization; the given results are consistent with experiments.  相似文献   

11.
The main objective of this paper was to investigate the dewatering behaviour of a clayey uranium ore slurry. The slurry (containing 28% clay size) exhibited moderate water adsorption (w l  = 83% and w p  = 30%). Primarily composed of muscovite (46%) and quartz (30%), the clay minerals included illite (8%), chlorite (5%) and kaolinite (2%) alongside a CEC of 41 (cmol(+)/kg) with Ca2+ and Mg2+ as the dominant cations. Likewise, the high EC (17,600 μS/cm) and ionic strength (1.15 mol/L) indicated a flocculated microstructure due to the presence of SO4 2? (22,600 mg/L) and Mg2+ (1340 mg/L) in the slurry water. Settling included sedimentation and consolidation at low initial solids condition (25–35%) whereas only consolidation was observed at high initial solids contents (40–50%). The average k reduced from 1.2 × 10?6 m/s (initial s = 25%) to 5.3 × 10?8 m/s (initial s = 50%) along with a void ratio reduction from 7.4 to 2.6. Due to thixotropic strength, volume compressibility during consolidation showed apparent pre-consolidation at low effective stress (0.3–2 kPa) with a reduction in void ratio from 2.6 to 2.5. The e s was found to be 2.46 at σ′ = 2 kPa and was followed by a steeper slope with the void ratio reducing to 2.1 at σ′ = 31 kPa. Likewise, the hydraulic conductivity during consolidation decreased from 2.6 × 10?9 m/s (at e = 2.6) to 2.0 × 10?10 m/s (at e = 2.1).  相似文献   

12.
High pressure in situ synchrotron X-ray diffraction experiment of strontium orthophosphate Sr3(PO4)2 has been carried out to 20.0 GPa at room temperature using multianvil apparatus. Fitting a third-order Birch–Murnaghan equation of state to the P–V data yields a volume of V 0 = 498.0 ± 0.1 Å3, an isothermal bulk modulus of K T  = 89.5 ± 1.7 GPa, and first pressure derivative of K T ′ = 6.57 ± 0.34. If K T ′ is fixed at 4, K T is obtained as 104.4 ± 1.2 GPa. Analysis of axial compressible modulus shows that the a-axis (K a  = 79.6 ± 3.2 GPa) is more compressible than the c-axis (K c  = 116.4 ± 4.3 GPa). Based on the high pressure Raman spectroscopic results, the mode Grüneisen parameters are determined and the average mode Grüneisen parameter of PO4 vibrations of Sr3(PO4)2 is calculated to be 0.30(2).  相似文献   

13.
A high-pressure single-crystal X-ray diffraction study has been carried out on a P21/c natural Mg-rich pigeonite sample with composition ca. Wo6En76Fs18 using a diamond anvil-cell. The unit-cell parameters were determined at 14 different pressures to 7.14 GPa. The sudden disappearance of the b-type reflections (h + k = odd) and a strong discontinuity (about 2.8%) in the unit-cell volume indicated a first-order P21/c–C2/c phase transition between 4.66 and 4.88 GPa. The P(V) data of the P21/c phase were fitted to 4.66 GPa by a third-order Birch–Murnaghan equation of state (BM3 EoS), whereas the limited number of experimental data collected within the C2/c phase between 4.88 and 7.14 GPa were fitted using the same equation of state but with K′ constrained to the value obtained for the P21/c fitting. The equation of state coefficients are V 0 = 424.66(6) Å3, K T0 = 104(2) GPa and K′ = 8(1) for the P21/c phase, and V 0 = 423.6(1) Å3, K T0 = 112.4(8) GPa, and K′ fixed to 8(1) for the C2/c phase. The axial moduli for a, b, and c for the P21/c phase were obtained using also a BM3-EoS, while for the C2/c phase only a linear calculation could be performed, and therefore the same approach was applied for comparison also to the P21/c phase. In general the C2/c phase exhibits axial compressibilities (β c > β a >> β b) lower than those of the P21/c phase (β b > β c ≈ β a; similar to those found in previous studies in clinopyroxenes and orthopyroxenes). The lower compressibility of the C2/c phase compared with that of the P21/c could be ascribed to the greater stiffness along the b direction. A previously published relationship between P c and M2 average cation radius (i.r.) has been updated using all the literature data on P21/c clinopyroxene containing large cations at M2 site and our new data. The following weighted regression was obtained: P c (GPa) = 26(4) ? 28(5) ×  i.r (Å), R 2 = 0.97. This improved equation can be used to predict the critical pressure of natural P21/c clinopyroxene samples just knowing the composition at M2 site.  相似文献   

14.
High-pressure phase transitions of CaRhO3 perovskite were examined at pressures of 6–27 GPa and temperatures of 1,000–1,930°C, using a multi-anvil apparatus. The results indicate that CaRhO3 perovskite successively transforms to two new high-pressure phases with increasing pressure. Rietveld analysis of powder X-ray diffraction data indicated that, in the two new phases, the phase stable at higher pressure possesses the CaIrO3-type post-perovskite structure (space group Cmcm) with lattice parameters: a = 3.1013(1) Å, b = 9.8555(2) Å, c = 7.2643(1) Å, V m  = 33.43(1) cm3/mol. The Rietveld analysis also indicated that CaRhO3 perovskite has the GdFeO3-type structure (space group Pnma) with lattice parameters: a = 5.5631(1) Å, b = 7.6308(1) Å, c = 5.3267(1) Å, V m  = 34.04(1) cm3/mol. The third phase stable in the intermediate P, T conditions between perovskite and post-perovskite has monoclinic symmetry with the cell parameters: a = 12.490(3) Å, b = 3.1233(3) Å, c = 8.8630(7) Å, β = 103.96(1)°, V m  = 33.66(1) cm3/mol (Z = 6). Molar volume changes from perovskite to the intermediate phase and from the intermediate phase to post-perovskite are –1.1 and –0.7%, respectively. The equilibrium phase relations determined indicate that the boundary slopes are large positive values: 29 ± 2 MPa/K for the perovskite—intermediate phase transition and 62 ± 6 MPa/K for the intermediate phase—post-perovskite transition. The structural features of the CaRhO3 intermediate phase suggest that the phase has edge-sharing RhO6 octahedra and may have an intermediate structure between perovskite and post-perovskite.  相似文献   

15.
As soft rocks are likely to soften, slime and swell while contacting water, the existence of soft rocks is harmful for stability of surrounding rocks and supporting structures of tunnels. Through uniaxial and triaxial tests under dry condition and triaxial test with different moisture contents, the mechanical properties and failure modes of soft rocks were studied under conditions that the schistosity plane of the rock samples was vertical to, presented an oblique angle with, and paralleled to the loading direction. The results showed that peak strengths in natural and water-bearing states increased with increasing confining pressures, while those in water-bearing state were 40% lower than those in natural state. The samples were mainly subjected to ductile failure in both natural and water-bearing states while the samples in natural state exhibited a certain brittle failure characteristic in post-peak phase. With the increase of confining pressures, the post-peak curve gradually became gentle after certain brittle failure while the post-peak stresses had an insignificant change. In comparison, the samples in water-bearing state showed significant post-peak disparity, that is, exhibited strong ductile failure characteristic. Moreover, the fitting relationship between triaxial compressive strength and moisture of soft rocks can be expresses as σ 1 = Aω + B (A < 0, B > 0) while that between elasticity modulus and moisture can be expresses as E = Aω + B (A < 0, B > 0).  相似文献   

16.
The improvement in the capabilities of Landsat-8 imagery to retrieve bathymetric information in shallow coastal waters was examined. Landsat-8 images have an additional band named coastal/aerosol, Band 1: 435–451 nm in comparison with former generation of Landsat imagery. The selected Landsat-8 operational land image (OLI) was of Chabahar Bay, located in the southern part of Iran (acquired on February 22, 2014 in calm weather and relatively low turbidity). Accurate and high resolution bathymetric data from the study area, produced by field surveys using a single beam echo-sounder, were selected for calibrating the models and validating the results. Three methods, including traditional linear and ratio transform techniques, as well as a novel proposed integrated method, were used to determine depth values. All possible combinations of the three bands [coastal/aerosol (CB), blue (B), and green (G)] have been considered (11 options) using the traditional linear and ratio transform techniques, together with five model options for the integrated method. The accuracy of each model was assessed by comparing the determined bathymetric information with field measured values. The standard error of the estimates, correlation coefficients (R 2 ) for both calibration and validation points, and root mean square errors (RMSE) were calculated for all cases. When compared with the ratio transform method, the method employing linear transformation with a combination of CB, B, and G bands yielded more accurate results (standard error = 1.712 m, R 2 calibration = 0.594, R 2 validation = 0.551, and RMSE =1.80 m). Adding the CB band to the ratio transform methodology also dramatically increased the accuracy of the estimated depths, whereas this increment was not statistically significant when using the linear transform methodology. The integrated transform method in form of Depth = b 0  + b 1 X CB  + b 2 X B  + b 5 ln(R CB )/ln(R G ) + b 6 ln(R B )/ln(R G ) yielded the highest accuracy (standard error = 1.634 m, R 2 calibration = 0.634, R 2 validation = 0.595, and RMSE = 1.71 m), where R i (i = CB, B, or G) refers to atmospherically corrected reflectance values in the i th band [X i  = ln(R i -R deep water)].  相似文献   

17.
Understanding the changes in permeability of soil, when soil is subjected to high confining pressure and flow pressure, which may alter the textural and geomechanical characteristics of soil, is of great importance to many geo-engineering activities such as, construction of high-rise buildings near the coast or the water bodies, earthen dams, pavement subgrades, reservoir, and shallow repositories. It is now possible to evaluate the changes in permeability of soil samples under varying conditions of confining pressure and flow pressure using flexible wall permeameter (FWP). In the present study, investigation was carried out on a cylindrical sample of granular soil employing FWP under varied conditions of confining pressure (σ3)—50–300 kPa, which can simulate the stress conditions equivalent to depth of about 20 m under the earth’s crust, and a flow pressure (fp)—20–120 kPa, which is mainly present near the small earthen embankment dams, landfill liners, and slurry walls near the soft granular soil with high groundwater table. The obtained results indicate a linear relationship between hydraulic conductivity (k) with effective confining pressure (σeff.), k, decreasing linearly with an incremental change in σeff.. Further, k increases significantly with an increase in fp corresponding to each σeff., and q increases significantly with increase in the fp corresponding to each (σ3). It was also observed that corresponding to the low fp of 20 kPa, the reduction in k is nonlinear with σ3. The percentage reduction in k is observed to be 9, 13, and 27% corresponding to σ3 of 50–100, 100–200, and 200-300 kPa, respectively.  相似文献   

18.
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19.
A pyroxene with composition LiNiSi2O6 was synthesized at T = 1,473 K and P = 2.0 GPa; the cell parameters at T = 298 K are a = 9.4169(6) Å, b = 8.4465(7) Å, c = 5.2464(3) Å, β = 110.534(6)°, V = 390.78(3) Å3. TEM examination of the LiNiSi2O6 pyroxene showed the presence of h + k odd reflections indicative of a primitive lattice, and of antiphase domains obtained by dark field imaging of the h + k odd reflections. A HT in situ investigation was performed by examining TEM selected area diffraction patterns collected at high temperature and synchrotron radiation powder diffraction. In HTTEM the LiNiSi2O6 was examined together with LiCrSi2O6 pyroxene. In LiCrSi2O6 the h + k odd critical reflections disappear at about 340 K; they are sharp up to the transition temperature and do not change their shape until they disappear. In LiNiSi2O6 the h + k odd reflections are present up to sample deterioration at 650 K. A high temperature synchrotron radiation powder diffraction investigation was performed on LiNiSi2O6 between 298 and 773 K. The analysis of critical reflections and of changes in cell parameters shows that the space group is P-centred up to the highest temperature. The comparative analysis of the thermal and spontaneous strain contributions in P21/c and C2/c pyroxenes indicates that the high temperature strain in P-LiNiSi2O6 is very similar to that due to thermal strain only in C2/c spodumene and that a spontaneous strain contribution related to pre-transition features is not apparent in LiNiSi2O6. A different high-temperature behaviour in LiNiSi2O6 with respect to other pyroxenes is suggested, possibly in relation with the presence of Jahn–Teller distortion of the M1 polyhedron centred by low-spin Ni3+.  相似文献   

20.
Pyroxenes of general stoichiometry Mg(Ge x Si1?x )O3 were encountered in attempts to synthesise Ge-substituted talcs at 0.2 GPa, 650–700 °C. Orthopyroxenes (Pbca) of compositions x = 0.21, 0.30, and 0.34 were identified, and also a P21/c clinopyroxene of composition x = 0.63, and C2/c clinopyroxenes of compositions x = 0.91 and 1. End-member clinoenstatite MgSiO3-P21/c synthesised at 16 GPa, 1300 °C and transformed from C2/c was also included in the study. Crystal structure refinements using single-crystal XRD data showed that unit-cell parameters vary linearly with Si–Ge for the Pbca and P21/c pyroxenes, both of which have two symmetrically non-equivalent tetrahedral chains. Refinement of Si–Ge occupancies at tetrahedral sites showed that the two chains of all primitive pyroxenes have very different compositions, with XGe(TB) ? XGe(TA). This difference arises from the greater flexibility of the B-chain to rotate in response to tetrahedral expansion due to increasing Ge content. The TA-M2 shared polyhedral edge imposes significant constraints on the flexibility of the A-chain, which can accommodate much less Ge than the B-chain. Linear trends of cell parameters, site occupancies, and structural parameters for the primitive pyroxenes, when extrapolated to published data for MgGeO3–Pbca, extend across the entire Si–Ge join.  相似文献   

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