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1.
A series of titanium silicate glasses along the composition joins SiO2–TiO2, Na2SiO3–TiO2, K2SiO3–TiO2, and CaSiO3–TiO2 have been examined using titanium (Ti) L-edge X-ray absorption near-edge spectroscopy (XANES). XANES spectra were collected at the Canadian Synchrotron Radiation
Facility (CSRF), University of Wisconsin, Madison, using the Spherical Grating Monochromator (SGM) beamline. Glass spectra
were compared with spectra obtained from crystalline analogues with differing Ti coordination environments: βrBa2TiO4 ([4]Ti); fresnoite ([5]Ti); and rutile and anatase ([6]Ti). The Ti L-edge data indicate that for homogeneous TiO2–SiO2 glasses Ti coordination is [5]Ti at TiO2 contents below 3.6 wt% but predominantly [4]Ti with some [5]Ti present above this content. There is no evidence for [6]Ti. For the Na2 O-containing glasses the L-edge data indicate that Ti is [4]Ti with some [5]Ti at low TiO2 contents, becomes a mix of [4]Ti and [5]Ti with increasing TiO2 content, but is exclusively [5]Ti by 14.3 wt% TiO2. The K2O composition glasses exhibit similar behavior but contain a greater proportion of [4]Ti and less [5]Ti than the equivalent Na2O-bearing glasses. These findings are consistent with previous Raman and XANES pre-edge studies. Alkaline-earth-containing
glasses behave somewhat differently, with [5]Ti occurring in low TiO2 content glasses, becoming a mix of [4]Ti and [5]Ti, and then gradually changing to predominantly [4]Ti at higher TiO2 compositions. Finally, we have obtained data for a fresnoite composition (Ba2TiSi2O8) glass. Previous pre-edge and Raman data had suggested that this composition glass contained [5]Ti; however, our Ti L-edge data indicate that Ti is almost exclusively [4]Ti, although some [5]Ti may also be present.
Received: 20 December 2000 / Accepted: 10 July 2001 相似文献
2.
Minimum energy geometries and electron density distributions, ϱ(r), for ∼40 polyatomic oxide molecules containing first and second row M-cations have been calculated at the Hartree-Fock level with a 6-311++G** basis set. The nature of the bonded interactions
in these molecules is examined in terms of the relative electronegativities, χ
M
, of the M-cations and the properties of the electron density distribution, ϱ(r
c
), evaluated at the bond critical points, r
c
, along each MO bond. As ϱ(r
c
) and the Laplacian of ϱ(r
c
) increase, χ
M
increases indicating an increase in the covalent character of the bonded interactions between M and O. The ratios of the curvatures of ϱ(r
c
) indicate that the NO bond is predominantly covalent, that the CO and SO bonds are of intermediate type and that the remaining
MO bonds are indicated to be predominantly ionic in character. A comparison of the critical point properties of ϱ(r
c
) and χ
M
indicates that the minimum energy MO bond length is an important determinate of the properties of ϱ(r
c
) and the character of the MO bonds.
On the other hand, values of the local energy density, H(r
c
), indicate that the LiO, BeO, NaO, MgO and AlO bonds are predominantly ionic and that the BO, CO, NO, SiO, PO and SO bonds
are predominantly covalent in character. The χ
M
-values provided by the properties of ϱ(r
c
) indicate that the covalent component of a bond increases with decreasing bond length, coordination number and increasing
bond strength. Each MO bond seems to represent a unique entity and to possess a distinct set of ϱ(r
c
) properties, the distinction being greater for the more electronegative cations.
The bonded radius of the oxide ion, r
b
(O), and the χ
M
-values determined from ϱ(r
c
) correlate with values determined from promolecule electron density distributions. In addition, r
b
(O) and χ
M
-values determined from experimental electron density distributions for crystals correlate with values determined from procrystal
electron density distributions. The number of critical points and bond paths are modeled rather faithfully by procrystal and
promolecule electron density distributions, despite the neglect of the binding forces in their constructions.
Received: October 15, 1996/Revised, accepted: February 10, 1997 相似文献
3.
4.
Matteo Alvaro Fernando Cámara M. Chiara Domeneghetti Fabrizio Nestola Vittorio Tazzoli 《Contributions to Mineralogy and Petrology》2011,162(3):599-613
A natural Ca-poor pigeonite (Wo6En76Fs18) from the ureilite meteorite sample PCA82506-3, free of exsolved augite, was studied by in situ high-temperature single-crystal
X-ray diffraction. The sample, monoclinic P21/c, was annealed up to 1,093°C to induce a phase transition from P21/c to C2/c symmetry. The variation with increasing temperature of the lattice parameters and of the intensity of the b-type reflections (h + k = 2n + 1, present only in the P21/c phase) showed a displacive phase transition P21/c to C2/c at a transition temperature T
Tr = 944°C, first order in character. The Fe–Mg exchange kinetics was studied by ex situ single-crystal X-ray diffraction in
a range of temperatures between the closure temperature of the Fe–Mg exchange reaction and the transition temperature. Isothermal
disordering annealing experiments, using the IW buffer, were performed on three crystals at 790, 840 and 865°C. Linear regression
of ln k
D versus 1/T yielded the following equation:
ln k\textD = - 3717( ±416)/T(K) + 1.290( ±0.378); (R2 = 0.988) \ln \,k_{\text{D}} = - 3717( \pm 416)/T(K) + 1.290( \pm 0.378);\quad (R^{2} = 0.988) . The closure temperature (T
c) calculated using this equation was ∼740(±30)°C. Analysis of the kinetic data carried out taking into account the e.s.d.'s
of the atomic fractions used to define the Fe–Mg degree of order, performed according to Mueller’s model, allowed us to retrieve
the disordering rate constants C
0
K
dis+ for all three temperatures yielding the following Arrhenius relation:
ln( C0 K\textdis + ) = ln K0 - Q/(RT) = 20.99( ±3.74) - 26406( ±4165)/T(K); (R2 = 0.988) \ln \left( {C_{0} K_{\text{dis}}^{ + } } \right) = \ln \,K_{0} - Q/(RT) = 20.99( \pm 3.74) - 26406( \pm 4165)/T(K);\quad (R^{2} = 0.988) . An activation energy of 52.5(±4) kcal/mol for the Fe–Mg exchange process was obtained. The above relation was used to calculate
the following Arrhenius relation modified as a function of X
Fe (in the range of X
Fe = 0.20–0.50):
ln( C0 K\textdis + ) = (21.185 - 1.47X\textFe ) - \frac(27267 - 4170X\textFe )T(K) \ln \left( {C_{0} K_{\text{dis}}^{ + } } \right) = (21.185 - 1.47X_{\text{Fe}} ) - {\frac{{(27267 - 4170X_{\text{Fe}} )}}{T(K)}} . The cooling time constant, η = 6 × 10−1 K−1 year−1 calculated on the PCA82506-3 sample, provided a cooling rate of the order of 1°C/min consistent with the extremely fast late
cooling history of the ureilite parent body after impact excavation. 相似文献
5.
M. Cai 《Rock Mechanics and Rock Engineering》2010,43(2):167-184
By applying the Griffith stress criterion of brittle failure, one can find that the uniaxial compressive strength (σc) of rocks is eight times the value of the uniaxial tensile strength (σt). The Griffith strength ratio is smaller than what is normally measured for rocks, even with the consideration of crack closure.
The reason is that Griffith’s theories address only the initiation of failure. Under tensile conditions, the crack propagation
is unstable so that the tensile crack propagation stress (σcd)t and the peak tensile strength σt are almost identical to the tensile crack initiation stress (σci)t. On the other hand, the crack growth after crack initiation is stable under a predominantly compressive condition. Additional
loading is required in compression to bring the stress from the crack initiation stress σci to the peak strength σc. It is proposed to estimate the tensile strength of strong brittle rocks from the strength ratio of
R = \fracs\textc | s\textt | = 8\fracs\textc s\textci . R = {\frac{{\sigma_{\text{c}} }}{{\left| {\sigma_{\text{t}} } \right|}}} = 8{\frac{{\sigma_{\text{c}} }}{{\sigma_{\text{ci}} }}}. The term
\fracs\textc s\textci {\frac{{\sigma_{\text{c}} }}{{\sigma_{\text{ci}} }}} accounts for the difference of crack growth or propagation in tension and compression in uniaxial compression tests.
\fracsc sci {\frac{{\sigma_{c} }}{{\sigma_{ci} }}} depends on rock heterogeneity and is larger for coarse grained rocks than for fine grained rocks. σci can be obtained from volumetric strain measurement or acoustic emission (AE) monitoring. With the strength ratio R determined, the tensile strength can be indirectly obtained from
| s\textt | = \fracs\textc R = \fracs\textci 8. \left| {\sigma_{\text{t}} } \right| = {\frac{{\sigma_{\text{c}} }}{R}} = {\frac{{\sigma_{\text{ci}} }}{8}}. It is found that the predicted tensile strengths using this method are in good agreement with test data. Finally, a practical
estimate of the Hoek–Brown strength parameter m
i is presented and a bi-segmental or multi-segmental representation of the Hoek–Brown strength envelope is suggested for some
brittle rocks. In this fashion, the rock strength parameters like σt and m
i, which require specialty tests such as direct tensile (or Brazilian) and triaxial compression tests for their determination,
can be reasonably estimated from uniaxial compression tests. 相似文献
6.
We perform a statistical analysis of the properties of 170 rich clusters of galaxies. We confirm the existence of correlations
between the X-ray luminosity and temperature of the cluster intergalactic medium (IGM) and between the velocity dispersion
of the galaxies and the X-ray luminosity of the IGM. In addition, we have found a new anti-correlation between the optical
luminosity in Hα and the X-ray luminosity of the cluster IGM: log $
\left( {\frac{{L_{H\alpha } }}
{{L_ \odot }}} \right) = a - b\log \left( {\frac{{L_x }}
{{L_ \odot }}} \right)
$
\left( {\frac{{L_{H\alpha } }}
{{L_ \odot }}} \right) = a - b\log \left( {\frac{{L_x }}
{{L_ \odot }}} \right)
. Clusters form sequences with different values of a but similar values of b. 相似文献
7.
Monticellite is a common magmatic mineral in the groundmass of kimberlites. A new oxygen barometer for kimberlite magmas is
calibrated based on the Fe content of monticellite, CaMgSiO4, in equilibrium with kimberlite liquids in experiments at 100 kPa from 1,230 to 1,350°C and at logfO2 from NNO-4.1 to NNO+5.3 (where NNO is the nickel–nickel oxide buffer). The XFeMtc/XFeliq was found to decrease with increasing fO2, consistent with only Fe2+ entering the monticellite structure. Although the XFe-in-monticellite varies with temperature and composition, these dependencies are small compared to that with fO2. The experimental data were fitted by weighted least square regression to the following relationship:
\Updelta \textNNO = \frac{ log[ 0.858( ±0.021)\fracX\textFe\textLiq X\textFe\textMtc ] - 0.139( ±0.022) }0.193( ±0.004) \Updelta {\text{NNO}} = \frac{{\left\{ {\log \left[ {0.858( \pm 0.021)\frac{{X_{\text{Fe}}^{\text{Liq}} }}{{X_{\text{Fe}}^{\text{Mtc}} }}} \right] - 0.139( \pm 0.022)} \right\}}}{0.193( \pm 0.004)} where ΔNNO is the fO2 relative to that of the Nickel-bunsenite (NNO) buffer and XFeliq/XFeMtc is the ratio of mole fraction of Fe in liquid and Fe-in-monticellite (uncertainties at 2σ). The application of this oxygen
barometer to natural kimberlites from both the literature and our own investigations, assuming the bulk rock FeO is that of
their liquid FeO, revealed a range in fO2 from NNO-3.5 to NNO+1.7. A range of Mg/(Mg + Fe2+) (Mg#) for kimberlite melts of 0.46–0.88 was derived from the application of the experimentally determined monticellite-liquid
Kd Fe2+–Mg to natural monticellites. The range in Mg# is broader and less ultramafic than previous estimates of kimberlites, suggesting
an evolution under a wide range of petrologic conditions. 相似文献
8.
Dr. Otto Braitsch 《Contributions to Mineralogy and Petrology》1959,6(5):352-356
Zusammenfassung Im Älteren Steinsalz von Reyershausen bei Göttingen wurde eine neue Veatchit-Varietät gefunden mita
0 = 6,721 Å,b
0 = 20,81 Å,c
0 = 6,647 Å, = 119° 4; Raumgruppe
oderP21,Z = 4[(Sr, Ca) O · 3 B2O3 · 2 H2O]. (010) ist die Ebene der vollkommenen Spalt-barkeit. Die Polymorphie der Veatehit-Minerale wird geometrisch durch geringfügige Deformationen der rhombischen Raumgruppe
(bzw.A21
a m) erklärt.Der neue Vertreter wirdp-Veatehit (mit einfach-primitivem Raumgitter) genannt im Unterschied zum Original-Veatehit, der in die Raumgruppe
gehört und dessen Symametrieebene senkrecht auf der vollkommenen Spaltebene steht. 相似文献
9.
Detlef W. Fasshauer Niranjan D. Chatterjee Ladislav Cemic 《Contributions to Mineralogy and Petrology》1998,133(1-2):186-198
Heat capacity, thermal expansion, and compressibility data have been obtained for a number of selected phases of the system
NaAlSiO4-LiAlSiO4-Al2O3-SiO2-H2O. All C
p
measurements have been executed by DSC in the temperature range 133–823 K. The data for T ≥ 223 K have been fitted to the function C
p
(T) = a + cT
−2 + dT
−0.5 + fT
−3, the fit parameters being The thermal expansion data (up to 525 °C) have been fitted to the function V
0(T) = V
0(T) [1 + v
1 (T−T
0) + v
2 (T−T
0)2], with T
0 = 298.15 K. The room-temperature compressibility data (up to 6 GPa) have been smoothed by the Murnaghan equation of state.
The resulting parameters are These data, along with other phase property and reaction reversal data from the literature, have
been simultaneously processed by the Bayes method to derive an internally consistent thermodynamic dataset (see Tables 6 and
7) for the NaAlSiO4-LiAlSiO4-Al2O3-SiO2-H2O quinary. Phase diagrams generated from this dataset are compatible with cookeite-, ephesite-, and paragonite-bearing assemblages
observed in metabauxites and common metasediments. Phase diagrams obtained from the same database are also in agreement with
the cookeite-free, petalite-, spodumene-, eucryptite-, and bikitaite-bearing assemblages known to develop in the subsolidus
phase of recrystallization of␣lithium-bearing pegmatites. It is gratifying to note that the cookeite phase relations predicted
earlier by Vidal and Goffé (1991) in the context of the system Li2O-Al2O3-SiO2-H2O agree with our results in a general way.
Received: 19 May 1998 / Accepted: 25 June 1998 相似文献
10.
Pascal Schouwink Ronald Miletich Angela Ullrich Ulrich A. Glasmacher Christina Trautmann Reinhard Neumann Barry P. Kohn 《Physics and Chemistry of Minerals》2010,37(6):371-387
Static elasticity measurements at high pressures were carried out on oriented fluorapatite single crystals, some of which
contained oriented amorphous ion tracks (ITs) implanted with relativistic Au ions (2.2 GeV) from the UNILAC linear accelerator
at GSI, Darmstadt. High-pressure experiments on irradiated and non-irradiated crystal sections were carried out in diamond-anvil
high-pressure cells under hydrostatic conditions. In situ single-crystal diffraction was performed to determine the high-precision
lattice parameters, simultaneously monitoring the widths of X-ray diffraction Bragg peaks. High-pressure Raman spectra were
analyzed with respect to the frequency shift and widths of bands, which correspond to the Raman-active vibrational modes of
the phosphate tetrahedra. Swift heavy ion irradiation was found to induce anisotropic lattice expansion and tensile strain
within the host lattice dependent on the ion-track orientation. The relatively low Grüneisen parameter for the ν
1b(A
g) mode, which has been assigned to originate from the volume fraction of the amorphous tracks, and the γ(ν
1a)/γ(ν
1b) ratio reveals compressive strain on the amorphous ITs. The comparative compressibilities for the host lattice reveal approximately
equivalent bulk moduli, but significantly different pressure derivatives (K
T = 88.4 ± 0.7 GPa, ∂K/∂P = 6.3 ± 0.3 for non-irradiated, K
T = 90.0 ± 1.7 GPa, ∂K/∂P = 3.8 ± 0.5 for irradiated samples). The axial compressibility moduli β
−1 reveal significant differences, which correlate with the ion-track orientation [ba - 1 \beta_{a}^{ - 1} = 240 ± 5 GPa, bc - 1 \beta_{c}^{ - 1} = 361 ± 14 GPa, ∂( ba - 1 ) \left( {\beta_{a}^{ - 1} } \right) /∂P = 11.3 ± 1.2, ∂( bc - 1 ) \left( {\beta_{c}^{ - 1} } \right) /∂P = 11.6 ± 3.4 for irradiation ⊥(100); 246 ± 9 GPa, 364 ± 57 GPa, 9.5 ± 2.9, 14.7 ± 14.1 for irradiation ⊥(001), 230.7 ± 3.6 GPa,
373.5 ± 5.1 GPa, 19.2 ± 1.4, 20.1 ± 1.8 for no irradiation]. Line widths of XRD Bragg peaks in irradiated apatites confirm
the strain of the host lattice, which appears to decrease with increasing pressure. By contrast, the bandwidths of Raman modes
increase with pressure, and this is attributed to increasing strain gradients on the length scale of the short-range order.
The investigations reveal considerable deviatoric stress on the [100]-oriented tracks due to the anisotropic elasticity, while
the compression is uniform for the directions perpendicular to the tracks, which are aligned parallel to the c-axis. This difference might be considered to control the diffusion properties related to the annealing kinetics and its observed
anisotropy, and hence to cause potential pressure effects on track-fading rates. 相似文献
11.
Jens Wenzel Andreasen Emil Makovicky Bente Lebech Sven Karup Møller 《Physics and Chemistry of Minerals》2008,35(8):447-454
Rietveld refinement of neutron powder diffraction data on four samples of synthetic, iron-bearing tetrahedrite (Cu12?xFexSb4S13) with x = 0.28, 0.69, 0.91, 2.19 and four samples of synthetic tennantite (Cu12?xFexAs4S13) with x = 0.33, 0.38, 0.86, 1.5 indicate unambiguously that iron is incorporated into tetrahedral M1 (12d) sites and not into triangular M2 (12e) sites in the cubic crystal structure (space group I $ \ifmmode\expandafter\bar\else\expandafter\=\fi{4} Rietveld refinement of neutron powder diffraction data on four samples of synthetic, iron-bearing tetrahedrite (Cu12−xFexSb4S13) with x = 0.28, 0.69, 0.91, 2.19 and four samples of synthetic tennantite (Cu12−xFexAs4S13) with x = 0.33, 0.38, 0.86, 1.5 indicate unambiguously that iron is incorporated into tetrahedral M1 (12d) sites and not into triangular M2 (12e) sites in the cubic crystal structure (space group I 3 m). The refinement results also confirm that M2 is a split (24g), flat-pyramidal site situated statistically on both sides of the S1−S1–S2 triangle. In tetrahedrite, this split is about
0.6 ?, in tennantite about 0.7 ?. Trends in bond lengths and magnitude of the M2 split were evaluated by means of linear regression
with Fe concentration as the independent variable. 相似文献
12.
Behavior of epidote at high pressure and high temperature: a powder diffraction study up to 10 GPa and 1,200 K 总被引:1,自引:0,他引:1
G. Diego Gatta Marco Merlini Yongjae Lee Stefano Poli 《Physics and Chemistry of Minerals》2011,38(6):419-428
The thermo-elastic behavior of a natural epidote [Ca1.925 Fe0.745Al2.265Ti0.004Si3.037O12(OH)] has been investigated up to 1,200 K (at 0.0001 GPa) and 10 GPa (at 298 K) by means of in situ synchrotron powder diffraction.
No phase transition has been observed within the temperature and pressure range investigated. P–V data fitted with a third-order Birch–Murnaghan equation of state (BM-EoS) give V
0 = 458.8(1)Å3, K
T0 = 111(3) GPa, and K′ = 7.6(7). The confidence ellipse from the variance–covariance matrix of K
T0 and K′ from the least-square procedure is strongly elongated with negative slope. The evolution of the “Eulerian finite strain”
vs “normalized stress” yields Fe(0) = 114(1) GPa as intercept values, and the slope of the regression line gives K′ = 7.0(4). The evolution of the lattice parameters with pressure is slightly anisotropic. The elastic parameters calculated
with a linearized BM-EoS are: a
0 = 8.8877(7) Å, K
T0(a) = 117(2) GPa, and K′(a) = 3.7(4) for the a-axis; b
0 = 5.6271(7) Å, K
T0(b) = 126(3) GPa, and K′(b) = 12(1) for the b-axis; and c
0 = 10.1527(7) Å, K
T0(c) = 90(1) GPa, and K’(c) = 8.1(4) for the c-axis [K
T0(a):K
T0(b):K
T0(c) = 1.30:1.40:1]. The β angle decreases with pressure, βP(°) = βP0 −0.0286(9)P +0.00134(9)P
2 (P in GPa). The evolution of axial and volume thermal expansion coefficient, α, with T was described by the polynomial function: α(T) = α0 + α1
T
−1/2. The refined parameters for epidote are: α0 = 5.1(2) × 10−5 K−1 and α1 = −5.1(6) × 10−4 K1/2 for the unit-cell volume, α0(a) = 1.21(7) × 10−5 K−1 and α1(a) = −1.2(2) × 10−4 K1/2 for the a-axis, α0(b) = 1.88(7) × 10−5 K−1 and α1(b) = −1.7(2) × 10−4 K1/2 for the b-axis, and α0(c) = 2.14(9) × 10−5 K−1 and α1(c) = −2.0(2) × 10−4 K1/2 for the c-axis. The thermo-elastic anisotropy can be described, at a first approximation, by α0(a): α0(b): α0(c) = 1 : 1.55 : 1.77. The β angle increases continuously with T, with βT(°) = βT0 + 2.5(1) × 10−4
T + 1.3(7) × 10−8
T
2. A comparison between the thermo-elastic parameters of epidote and clinozoisite is carried out. 相似文献
13.
Analysis of existing data and models on point defects in pure (Fe,Mg)-olivine (Phys Chem Miner 10:27–37,1983; Phys Chem Miner 29:680–694, 2002) shows that it is necessary to consider thermodynamic non-ideality of mixing to adequately describe the concentration of
point defects over the range of measurement. In spite of different sources of uncertainties, the concentrations of vacancies
in octahedral sites in (Fe,Mg)-olivine are on the order of 10−4 per atomic formula unit at 1,000–1,200 °C according to both the studies. We provide the first explicit plots of vacancy concentrations
in olivine as a function of temperature and oxygen fugacity according to the two models. It is found that in contrast to absolute
concentrations at ∼1,100 °C and dependence on fO2, there is considerable uncertainty in our knowledge of temperature dependence of vacancy concentrations. This needs to be
considered in discussing the transport properties such as diffusion coefficients. Moreover, these defect models in pure (Fe,Mg)-olivine
need to be extended by considering aliovalent impurities such as Al, Cr to describe the behavior of natural olivine. We have
developed such a formulation, and used it to analyze the considerable database of diffusion coefficients in olivine from Dohmen
et al. (Phys Chem Miner this volume, 2007) (Part - I) and older data in the literature. The analysis documents unequivocally for the first time a change of diffusion
mechanism in a silicate mineral—from the transition metal extrinsic (TaMED) to the purely extrinsic (PED) domain, at fO2 below 10−10 Pa, and consequently, temperatures below 900 °C. The change of diffusion mechanism manifests itself in a change in fO2 dependence of diffusivity and a slight change in activation energy of diffusion—the activation energy increases at lower temperatures. These are consistent with the predictions of Chakraborty (J Geophys Res 102(B6):12317–12331, 1997). Defect formation enthalpies in the TaMED regime (distinct from intrinsic defect formation) lie between −66 and + 15 kJ/mol
and migration energies of octahedral cations in olivine are most likely ∼ 260 kJ/mol, consistent with previous inferences
(Phys Chem 207:147–162, 1998). Plots are shown for diffusion at various constant fO2 as well as along fO2 buffers, to highlight the difference in behavior between the two. Considering all the diffusion data and constraints from
the point defect models, (Fe–Mg) diffusion in olivine along [001] is best described by the Master equations: (1) At oxygen
fugacities greater than 10−10 Pa:
where T is in Kelvin, P and fO2 is in Pascals, X
Fe is the mole fraction of the fayalite component and R is the gas constant in J/mol/K. (2) At oxygen fugacities less than 10−10 Pa:
These equations reproduce all of the 113 experimental data points within half an order of magnitude. (3) Alternately, a global
equation averaging out the change of mechanism may be used, with somewhat larger errors in reproducing the measured diffusion
data. It underestimates data at higher temperatures, and overestimates them at lower temperatures on the average. Note that
fO2 is not explicitly considered here, leading to additional sources of error:
To obtain diffusion coefficients along [100] and [010], log 6 needs to be subtracted from each of the above equations.
An erratum to this article can be found at 相似文献
14.
TitaniQ under pressure: the effect of pressure and temperature on the solubility of Ti in quartz 总被引:5,自引:2,他引:3
Jay B. Thomas E. Bruce Watson Frank S. Spear Philip T. Shemella Saroj K. Nayak Antonio Lanzirotti 《Contributions to Mineralogy and Petrology》2010,160(5):743-759
Quartz and rutile were synthesized from silica-saturated aqueous fluids between 5 and 20 kbar and from 700 to 940°C in a piston-cylinder
apparatus to explore the potential pressure effect on Ti solubility in quartz. A systematic decrease in Ti-in-quartz solubility
occurs between 5 and 20 kbar. Titanium K-edge X-ray absorption near-edge structure (XANES) measurements demonstrate that Ti4+ substitutes for Si4+ on fourfold tetrahedral sites in quartz at all conditions studied. Molecular dynamic simulations support XANES measurements
and demonstrate that Ti incorporation onto fourfold sites is favored over interstitial solubility mechanisms. To account for
the P–T dependence of Ti-in-quartz solubility, a least-squares method was used to fit Ti concentrations in quartz from all experiments
to the simple expression
RTlnX\textTiO 2 \textquartz = - 60952 + 1.520 ·T(K) - 1741 ·P(kbar) + RTlna\textTiO 2 RT\ln X_{{{\text{TiO}}_{ 2} }}^{\text{quartz}} = - 60952 + 1.520 \cdot T(K) - 1741 \cdot P(kbar) + RT\ln a_{{{\text{TiO}}_{ 2} }} 相似文献
15.
I. V. Pekov N. V. Chukanov I. M. Kulikova D. I. Belakovsky 《Geology of Ore Deposits》2007,49(7):530-536
Phosphoinnelite, an analogue of innelite with P > S, has been found in a peralkaline pegmatite vein crosscutting calcite carbonatite
at the phlogopite deposit, Kovdor pluton, Kola Peninsula. Cancrinite (partly replaced with thomsonite-Ca), orthoclase, aegirine-augite,
pectolite, magnesioarfvedsonite, golyshevite, and fluorapatite are associated minerals. Phosphoinnelite occurs as lath-shaped
crystals up to 0.2 × 1 × 6 mm in size, which are combined typically in bunch-, sheaf-, and rosettelike segregations. The color
is yellow-brown, with vitreous luster on crystal faces and greasy luster on broken surfaces. The mineral is transparent. The
streak is pale yellowish. Phosphoinnelite is brittle, with perfect cleavage parallel to the {010} and good cleavage parallel
to the {100}; the fracture is stepped. The Mohs hardness is 4.5 to 5. Density is 3.82 g/cm3 (meas.) and 3.92 g/cm3 (calc.). Phosphoinnelite is biaxial (+), α = 1.730, β = 1.745, and γ = 1.764, 2V (meas.) is close to 90°. Optical orientation
is Z^c ∼ 5°. Chemical composition determined by electron microprobe is as follows (wt %): 6.06 Na2O, 0.04 K2O, 0.15 CaO, 0.99 SrO, 41.60 BaO, 0.64 MgO, 1.07 MnO, 1.55 Fe2O3, 0.27 Al2O3, 17.83 SiO2, 16.88 TiO2, 0.74 Nb2O5, 5.93 P2O5, 5.29 SO3, 0.14 F, −O=F2 = −0.06, total is 99.12. The empirical formula calculated on the basis of (Si,Al)4O14 is (Ba3.59Sr0.13K0.01)Σ3.73(Na2.59Mg0.21Ca0.04)Σ3.04(Ti2.80Fe
0.26
3+
Nb0.07)Σ3.13[(Si3.93Al0.07)Σ4O14(P1.11S0.87)Σ1.98O7.96](O2.975F0.10)Σ3.075. The simplified formula is Ba4Na3Ti3Si4O14(PO4,SO4)2(O,F)3. The mineral is triclinic, space group P
or P1. The unit cell dimensions are a = 5.38, b = 7.10, c = 14.76 ?; α = 99.00°, β = 94.94°, γ = 90.14°; and V = 555 ?3, Z = 1. The strongest lines of the X-ray powder pattern [d, ? in (I)(hkl)] are: 14.5(100)(001), 3.455(40)(103), 3.382(35)(0
2), 2.921(35)(005), 2.810(40)(1
4), 2.683(90)(200,
01), 2.133(80)(
2), 2.059(40)(204, 1
3, 221), 1.772(30)(0
1, 1
7, 2
2, 2
3). The infrared spectrum is demonstrated. An admixture of P substituting S has been detected in the innelite samples from
the Inagli pluton (South Yakutia, Russia). An innelite-phosphoinnelite series with a variable S/P ratio has been discovered.
The type material of phosphoinnelite has been deposited at the Fersman Mineralogical Museum, Russian Academy of Sciences,
Moscow.
Original Russian Text ? I.V. Pekov, N.V. Chukanov, I.M. Kulikova, D.I. Belakovsky, 2006, published in Zapiski Rossiiskogo
Mineralogicheskogo Obshchestva, 2006, No. 3, pp. 52–60.
Considered and recommended by the Commission on New Minerals and Mineral Names, Russian Mineralogical Society, May 9, 2005.
Approved by the Commission on New Minerals and Mineral Names, International Mineralogical Association, July 4, 2005 (proposal
2005-022). 相似文献
16.
Lead chloride formation constants at 25°C were derived from analysis of previous spectrophotometrically generated observations
of lead speciation in a variety of aqueous solutions (HClO4–HCl and NaCl–NaClO4 mixtures, and solutions of MgCl2 and CaCl2). Specific interaction theory analysis of these formation constants produced coherent estimates of (a) PbCl+,
\textPbCl20 {\text{PbCl}}_{2}^{0} , and PbCl3− formation constants at zero ionic strength, and (b) well-defined depictions of the dependence of these formation constants
on ionic strength. Accompanying examination of a recent IUPAC critical assessment of lead formation constants, in conjunction
with the spectrophotometrically generated formation constants presented in this study, revealed significant differences among
various subsets of the IUPAC critically selected data. It was found that these differences could be substantially reduced
through reanalysis of the formation constant data of one of the subsets. The resulting revised lead chloride formation constants
are in good agreement with the formation constants derived from the earlier spectrophotometrically generated data. Combining
these data sets provides an improved characterization of lead chloride complexation over a wide range of ionic strengths:
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