共查询到20条相似文献,搜索用时 250 毫秒
1.
P. Comodi M. Drábek M. Montagnoli M. Rieder Z. Weiss P. F. Zanazzi 《Physics and Chemistry of Minerals》2003,30(4):198-205
The crystal structure of a synthetic Rb analog of tetra-ferri-annite (Rb–TFA) 1M with the composition Rb0.99Fe2+
3.03(Fe3+ 1.04 Si2.96)O10.0(OH)2.0 was determined by the single-crystal X-ray diffraction method. The structure is homooctahedral (space group C2/m) with M1 and M2 occupied by divalent iron. Its unit cell is larger than that of the common potassium trioctahedral mica,
and similar lateral dimensions of the tetrahedral and octahedral sheets allow a small tetrahedral rotation angle α=2.23(6)°.
Structure refinements at 0.0001, 1.76, 2.81, 4.75, and 7.2 GPa indicate that in some respects the Rb–TFA behaves like all
other micas when pressure increases: the octahedra are more compressible than the tetrahedra and the interlayer is four times
more compressible than the 2:1 layer. However, there is a peculiar behavior of the tetrahedral rotation angle α: at lower
pressures (0.0001, 1.76, 2.81 GPa), it has positive values that increase with pressure [from 2.23(6)° to 6.3(4)°] as in other
micas, but negative values −7.5(5)° and −8.5(9)° appear at higher pressures, 4.75 and 7.2 GPa, respectively. This structural
evidence, together with electrostatic energy calculations, shows that Rb–TFA has a Franzini A-type 2:1 layer up to at least
2.81 GPa that at higher pressure yields to a Franzini B-type layer, as shown by the refinements at 4.75 and 7.2 GPa. The inversion
of the α angle is interpreted as a consequence of an isosymmetric displacive phase transition from A-type to B-type structure
between 2.81 and 4.75 GPa. The compressibility of the Rb–TFA was also investigated by single-crystal X-ray diffraction up
to a maximum pressure of 10 GPa. The lattice parameters reveal a sharp discontinuity between 3.36 and 3.84 GPa, which was
associated with the phase transition from Franzini-A to Franzini-B structure.
Received: 21 October 2002 / Accepted: 25 February 2003 相似文献
2.
K. Shinoda M. Yamakata T. Nanba H. Kimura T. Moriwaki Y. Kondo T. Kawamoto N. Niimi N. Miyoshi N. Aikawa 《Physics and Chemistry of Minerals》2002,29(6):396-402
Infrared absorption spectra of brucite Mg (OH)2 were measured under high pressure and high temperature from 0.1 MPa 25 °C to 16 GPa 360 °C using infrared synchrotron radiation
at BL43IR of Spring-8 and a high-temperature diamond-anvil cell. Brucite originally has an absorption peak at 3700 cm−1, which is due to the OH dipole at ambient pressure. Over 3 GPa, brucite shows a pressure-induced absorption peak at 3650 cm−1. The pressure-induced peak can be assigned to a new OH dipole under pressure. The new peak indicates that brucite has a new
proton site under pressure and undergoes a high-pressure phase transition. From observations of the pressure-induced peak
under various P–T condition, a stable region of the high-pressure phase was determined. The original peak shifts to lower wavenumber at −0.25 cm−1 GPa−1, while the pressure-induced peak shifts at −5.1 cm−1 GPa−1. These negative dependences of original and pressure-induced peak shifts against pressure result from enhanced hydrogen bond
by shortened O–H···O distance, and the two dependences must result from the differences of hydrogen bond types of the original
and pressure-induced peaks, most likely from trifurcated and bent types, respectively. Under high pressure and high temperature,
the pressure-induced peak disappears, but a broad absorption band between 3300 and 3500 cm−1 was observed. The broad absorption band may suggest free proton, and the possibility of proton conduction in brucite under
high pressure and temperature.
Received: 16 July 2001 / Accepted: 25 December 2001 相似文献
3.
We used an in situ measurement method to investigate the phase transition of CaGeO3 polymorphs under high pressures and temperatures. A multi-anvil high-pressure apparatus combined with intense synchrotron
X-ray radiation was used. The transition boundary between a garnet and a perovskite phase at T = 900–1,650 K and P = 3–8 GPa was determined as occurring at P (GPa) = 9.0−0.0023 × T (K). The transition pressure determined in our study is in general agreement with that observed in previous high-pressure
experiments. The slope, dP/dT, of the transition determined in our study is consistent with that calculated from calorimetry data. 相似文献
4.
S. Ono E. Ito T. Katsura A. Yoneda M. J. Walter S. Urakawa W. Utsumi K. Funakoshi 《Physics and Chemistry of Minerals》2000,27(9):618-622
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 相似文献
5.
P. Comodi A. Kurnosov S. Nazzareni L. Dubrovinsky 《Physics and Chemistry of Minerals》2012,39(1):65-71
The effects of pressure on the dehydration of gypsum materials were investigated up to 633 K and 25 GPa by using Raman spectroscopy
and synchrotron X-ray diffraction with an externally heated diamond anvil cell. At 2.5 GPa, gypsum starts to dehydrate around
428 K, by forming bassanite, CaSO4 hemihydrate, which completely dehydrates to γ-anhydrite at 488 K. All the sulphate modes decrease linearly between 293 and
427 K with temperature coefficients ranging from −0.119 to −0.021 cm−1 K−1, where an abrupt change in the ν3 mode and in the OH-stretching region indicates the beginning of dehydration. Increasing the temperature to 488 K, the OH-stretching
modes completely disappear, marking the complete dehydration and formation of γ-anhydrite. Moreover, the sample changes from
transparent to opaque to transparent again during the dehydration sequence gypsum-bassanite-γ-anhydrite, which irreversibly
transforms to β-anhydrite form at 593 K. These data compared with the dehydration temperature at room pressure indicate that
the dehydration temperature increases with pressure with a ΔP/ΔT slope equal to 230 bar/K. Synchrotron X-ray diffraction experiments show similar values of temperature and pressure for the
first appearance of bassanite. Evidence of phase transition from β-anhydrite structure to the monazite type was observed at
about 2 GPa under cold compression. On the other hand at the same pressure (2 GPa and 633 K), β-anhydrite was found, indicating
a positive Clausis-Clayperon slope of the transition. This transformation is completely reversible as showed by the Raman
spectra on the sample recovered after phase transition. 相似文献
6.
The crystal structure of chromite FeCr2O4 was investigated to 13.7 GPa and ambient temperature with single-crystal X-ray diffraction techniques. The unit-cell parameter
decreases continuously from 8.3832 (5) to 8.2398 (11) Å up to 11.8 GPa. A fit to the Birch–Murnaghan equation of state (EoS)
based on the P–V data gives: K
0 = 209 (13) GPa, K′ = 4.0 (fixed), and V
0 = 588 (1) Å3. The FeO4 tetrahedra and CrO6 octahedra are compressed isotropically with pressure with their Fe–O and Cr–O bond distances decreasing from 1.996 (6) to
1.949 (7) Å and from 1.997 (3) to 1.969 (7) Å, respectively. The tetrahedral site occupied by the Fe2+ cation is more compressible than the octahedral site occupied by the Cr3+ cation. The resulting EoS parameters for the tetrahedral and the octahedral sites are K
0 = 147 (9) GPa, K′ = 4.0 (fixed), V
0 = 4.07 (1) Å3 and K
0 = 275 (24) GPa, K′ = 4.0 (fixed), V
0 = 10.42 (2) Å3, respectively. A discontinuous volume change is observed between 11.8 and 12.6 GPa. This change indicates a phase transition
from a cubic (space group Fd-[`3]{\overline{3}}
m) to a tetragonal structure (space group I41
/amd). At the phase transition boundary, the two Cr–O bonds parallel to the c-axis shorten from 1.969 (7) to 1.922 (17) Å and the other four Cr–O bonds parallel to the ab plane elongate from 1.969 (7) to 1.987 (9) Å. This anisotropic deformation of the octahedra leads to tetragonal compression
of the unit cell along the c-axis. The angular distortion in the octahedron decreases continuously up to 13.7 GPa, whereas the distortion in the tetrahedron
rises dramatically after the phase transition. At the pressure of the phase transition, the tetrahedral bond angles along
the c-axis direction of the unit cell begin decreasing from 109.5° to 106.6 (7)°, which generates a “stretched” tetrahedral geometry.
It is proposed that the Jahn–Teller effect at the tetrahedrally coordinated Fe2+ cation becomes active with compression and gives rise to the tetrahedral angular distortion, which in turn induces the cubic-to-tetragonal
transition. A qualitative molecular orbital model is proposed to explain the origin and nature of the Jahn–Teller effect observed
in this structure and its role in the pressure-induced phase transition. 相似文献
7.
Angela Ullrich Wilfried Schranz Ronald Miletich 《Physics and Chemistry of Minerals》2009,36(10):545-555
The high-pressure behavior of the lattice elasticity of spodumene, LiAlSi2O6, was studied by static compression in a diamond-anvil cell up to 9.3 GPa. Investigations by means of single-crystal XRD and
Raman spectroscopy within the hydrostatic limits of the pressure medium focus on the pressure ranges around ~3.2 and ~7.7 GPa,
which have been reported previously to comprise two independent structural phase transitions. While our measurements confirm
the well-established first-order C2/c–P21/c transformation at 3.19 GPa (with 1.2% volume discontinuity and a hysteresis between 0.02 and 0.06 GPa), both unit-cell dimensions
and the spectral changes observed in high-pressure Raman spectra give no evidence for structural changes related to a second
phase transition. Monoclinic lattice parameters and unit-cell volumes at in total 59 different pressure points have been used
to re-calculate the lattice-related properties of spontaneous strain, volume strain, and the bulk moduli as a function of
pressure across the transition. A modified Landau free energy expansion in terms of a one component order parameter has been
developed and tested against these experimentally determined data. The Landau solution provides a much better reproduction
of the observed anomalies than any equation-of-state fit to data sets truncated below and above P
tr, thus giving Landau parameters of K
0 = 138.3(2) GPa, K′ = 7.46(5), λ
V
= 33.6(2) GPa, a = 0.486(3), b = −29.4(6) GPa and c = 551(11) GPa. 相似文献
8.
E. M. Chamorro Pérez I. Daniel J.-C. Chervin P. Dumas J. D. Bass T. Inoue 《Physics and Chemistry of Minerals》2006,33(7):502-510
High-pressure synchrotron infrared (IR) absorption spectra were collected between 650 and 4,000 cm−1 at ambient temperature for hydrous Mg-ringwoodite (γ-Mg2SiO4) up to 30 GPa. The main feature in the OH− stretching region is an extremely broad band centred at 3,150 cm−1. The hydrogen bond is strong for most protons and the most probable site for protonation is the tetrahedral edge. With increasing pressure, this band shifts downward while decreasing its integrated intensity until disappearance at a pressure of 25 GPa. Only one band at 2,450 cm−1 and an absorption plateau persist with a maximum wavenumber of 3,800 cm−1. This behaviour is reversible upon pressure release. We interpret this as a second-order phase transition occurring in hydrated Mg-ringwoodite at high pressure (beyond ∼ 25 GPa). This result is compatible with the observation by Kleppe et al. (Phys Chem Miner 29:473–476, 2002a) who suggested the presence of Si–O–Si linkages and/or partial increase in the coordination of Si. Beyond the phase transition, the protons are delocalized and their environment on the ringwoodite structure is probably quite different from that at low pressure. Data obtained in situ at high pressures and temperatures are needed to better understand the effect of protonation on the structure and to better constrain this phase transition. 相似文献
9.
The heat capacity (C
p
) of dmitryivanovite synthesized with a cubic press was measured in the temperature range of 5–664 K using the heat capacity
option of a physical properties measurement system and a differential scanning calorimeter. The entropy of dmitryivanovite
at standard temperature and pressure (STP) was calculated to be 110.1 ± 1.6 J mol−1 K−1 from the measured C
p
data. With the help of new phase equilibrium experiments done at 1.5 GPa, the phase transition boundary between krotite and
dmitryivanovite was best represented by the equation: P (GPa) = −2.1825 + 0.0025 T (K). From the temperature intercept of this phase boundary and other available thermodynamic data
for krotite and dmitryivanovite, the enthalpy of formation and Gibbs free energy of formation of dmitryivanovite at STP were
calculated to be −2326.7 ± 2.1 and −2,208.1 ± 2.1 kJ mol−1, respectively. It is also inferred that dmitryivanovite is the stable CaAl2O4 phase at STP and has a wide stability field at high pressures whereas the stability field of krotite is located at high temperatures
and relatively low pressures. This conclusion is consistent with natural occurrences (in Ca–Al-rich inclusions) of dmitryivanovite
and krotite, where the former is interpreted as the shock metamorphic product of originally present krotite. 相似文献
10.
Björn Winkler Julian D. Gale Keith Refson Dan J. Wilson Victor Milman 《Physics and Chemistry of Minerals》2008,35(1):25-35
Density functional theory calculations have been used to study the pressure-induced changes of the hydrogen bond of Fe-free
orthozoisite and clinozoisite and the concomitant shifts of the OH-stretching frequencies. Two independent parameter-free
lattice dynamical calculations have been employed. One was based on a plane-wave basis set in conjunction with norm-conserving
pseudopotentials and a density functional perturbation theory approach, while the other used a localised basis set and a finite
displacement algorithm for the lattice dynamical calculations. Both models confirm the unusually large pressure-induced red-shift
found experimentally (−33.89 cm−1/GPa) in orthozoisite, while the pressure-induced shifts in clinozoisite are much smaller (−5 to −9 cm−1/GPa). The atomistic model calculations show that in orthozoisite the nearly linear O–H⋯O arrangement is compressed by about
8% on a pressure increase to 10 GPa, while concomitantly the O–H distance is significantly elongated (by 2.5% at 10 GPa).
In clinozoisite, the O–H⋯O arrangement is kinked at ambient conditions and remains kinked at high pressures, while the O-H distance is elongated by only 0.5% at 10 GPa. The
current calculations confirm that correlations between the distances and dynamics of hydrogen bonds, which have been established
at ambient conditions, cannot be used to infer hydrogen positions at high pressures. 相似文献
11.
In-situ X-ray diffraction measurements of CaGeO3-wollastonite at high pressure at room temperature have been performed using a diamond anvil cell with an X-ray source. A
new structural modification of CaGeO3-wollastonite is observed at about 6GPa and the characteristic reflections of the high pressure form are preserved on decompression
to an ambient pressure. A rhodonite-like structure is proposed as a high pressure form from the crystal chemical consideration.
The rhodonite-like phase is further transformed into a perovskite-form at about 15 GPa. The rhodonite-like-form of CaGeO3 seems not to be a stable phase from the heating experiments under high pressures. The metastable transition path from the
wollastonite to the perovskite polymorph through the rhodonite-like structure is kinetically favored under room temperature
pressurization. No pressure-induced amorphization is observed during the transition into the perovskite-form, although the
transition is accompanied by the coordination change of Ge atoms from fourfold to sixfold.
Received: July 19, 1995 / Revised, accepted: August 1996 相似文献
12.
Lin-gun Liu C.-C. Lin Y. J. Yung T. P. Mernagh T. Irifune 《Physics and Chemistry of Minerals》2009,36(3):143-149
K-lingunite is a high-pressure modification of K-feldspar that possesses the tetragonal hollandite structure. Variations of
the Raman spectra of K-lingunite were studied up to ~31.5 GPa at room temperature, and in the range 79–823 K at atmospheric
pressure. The Raman frequencies of all bands were observed to increase with increasing pressure, and decrease with increasing
temperature for K-lingunite. This behavior is in line with those observed for most of other materials. New sharp Raman bands
appear at pressures greater than 13–15 GPa, suggesting a phase transition in K-lingunite with increasing pressure. The transition
is reversible when pressure was released. The appearance of these new Raman bands may correspond to the phase transition revealed
earlier at around 20 GPa by X-ray diffraction studies. Instead of transforming back to its stable minerals, such as orthoclase,
microcline or sanidine, K-lingunite became amorphous in the temperature range 803–823 K at atmospheric pressure. 相似文献
13.
Stress-induced proton disorder in hydrous ringwoodite 总被引:1,自引:1,他引:0
Monika Koch-Müller Sergio Speziale Fiorenza Deon Maria Mrosko Ulrich Schade 《Physics and Chemistry of Minerals》2011,38(1):65-73
We have measured in situ high-pressure IR absorption of synthetic hydrous (MgxFe1−x)2SiO4 ringwoodites (x = 0.00 to 0.61) up to a maximum pressure of 30 GPa. In our study, we combined the megabar-type diamond-anvil cell (DAC) with
conventional and synchrotron FTIR spectroscopy. The high-pressure measurements were performed in three different pressure-transmitting
environments: (1) CsI powder, (2) cryogenically loaded liquid argon, and (3) cryogenically loaded liquid argon annealed at
8.6 GPa at temperature of 120°C before further pressure increase. Between 10 and 12 GPa, all the samples loaded with methods
(1) and (2), independent on composition, showed a sudden disappearance of the prominent OH-stretching feature and simultaneous
discontinuities and/or changes in the pressure dependence of lattice vibrations compared with spectra of samples loaded with
method (3). In experiments performed with method (3) the OH-stretching vibrations as well as lattice vibrations could be observed
up to 30 GPa and their pressure behavior (dν/dP) can well be described by linear fits. Molecular vibrations, such as the OH stretching, are sensitive to non-hydrostatic
conditions, especially in minerals with highly symmetric structures. We interpret the disappearance of the OH bands using
methods (1) and (2) as a stress-induced proton disordering in hydrous ringwoodite. Our results confirm that argon pressure
medium produces strongly non-hydrostatic conditions comparable to CsI or KBr, if it is not thermally annealed at pressures
above 8 GPa. Our results suggest that the transition observed in hydrous Mg-ringwoodite end member is not present in compositions
containing Fe. By comparing the behavior of samples compressed in different environments, we suggest that sudden disappearance
of the OH-stretching band in hydrous ringwoodite could be driven by deterioration of the quasi-hydrostatic stress condition
instead of a pressure-induced effect. 相似文献
14.
G. Diego Gatta Marco Merlini Hanns-Peter Liermann André Rothkirch Mauro Gemmi Alessandro Pavese 《Physics and Chemistry of Minerals》2012,39(5):385-397
The thermoelastic behavior of a natural clintonite-1M [with composition: Ca1.01(Mg2.29Al0.59Fe0.12)Σ3.00(Si1.20Al2.80)Σ4.00O10(OH)2] has been investigated up to 10 GPa (at room temperature) and up to 960°C (at room pressure) by means of in situ synchrotron
single-crystal and powder diffraction, respectively. No evidence of phase transition has been observed within the pressure
and temperature range investigated. P–V data fitted with an isothermal third-order Birch–Murnaghan equation of state (BM-EoS) give V
0 = 457.1(2) ?3, K
T0 = 76(3)GPa, and K′ = 10.6(15). The evolution of the “Eulerian finite strain” versus “normalized stress” shows a linear positive trend. The
linear regression yields Fe(0) = 76(3) GPa as intercept value, and the slope of the regression line leads to a K′ value of 10.6(8). The evolution of the lattice parameters with pressure is significantly anisotropic [β(a) = 1/3K
T0(a) = 0.0023(1) GPa−1; β(b) = 1/3K
T0(b) = 0.0018(1) GPa−1; β(c) = 1/K
T0(c) = 0.0072(3) GPa−1]. The β-angle increases in response to the applied P, with: βP = β0 + 0.033(4)P (P in GPa). The structure refinements of clintonite up to 10.1 GPa show that, under hydrostatic pressure, the structure rearranges
by compressing mainly isotropically the inter-layer Ca-polyhedron. The bulk modulus of the Ca-polyhedron, described using
a second-order BM-EoS, is K
T0(Ca-polyhedron) = 41(2) GPa. The compression of the bond distances between calcium and the basal oxygens of the tetrahedral
sheet leads, in turn, to an increase in the ditrigonal distortion of the tetrahedral ring, with ∂α/∂P ≈ 0.1°/GPa within the P-range investigated. The Mg-rich octahedra appear to compress in response to the applied pressure, whereas the tetrahedron
appears to behave as a rigid unit. The evolution of axial and volume thermal expansion coefficient α with temperature was
described by the polynomial α(T) = α0 + α1
T
−1/2. The refined parameters for clintonite are as follows: α0 = 2.78(4) 10−5°C−1 and α1 = −4.4(6) 10−5°C1/2 for the unit-cell volume; α0(a) = 1.01(2) 10−5°C−1 and α1(a) = −1.8(3) 10−5°C1/2 for the a-axis; α0(b) = 1.07(1) 10−5°C−1 and α1(b) = −2.3(2) 10−5°C1/2 for the b-axis; and α0(c) = 0.64(2) 10−5°C−1 and α1(c) = −7.3(30) 10−6°C1/2for the c-axis. The β-angle appears to be almost constant within the given T-range. No structure collapsing in response to the T-induced dehydroxylation was found up to 960°C. The HP- and HT-data of this study show that in clintonite, the most and the less expandable directions do not correspond to the most and
the less compressible directions, respectively. A comparison between the thermoelastic parameters of clintonite and those
of true micas was carried out. 相似文献
15.
Daisuke Nishio-Hamane Asa Shimizu Ritsuko Nakahira Ken Niwa Asami Sano-Furukawa Taku Okada Takehiko Yagi Takumi Kikegawa 《Physics and Chemistry of Minerals》2010,37(3):129-136
The stability and equation of state for the cotunnite phase in TiO2 were investigated up to a pressure of about 70 GPa by high-pressure in situ X-ray diffraction measurements using a laser-heated
diamond anvil cell. The transition sequence under high pressure was rutile → α-PbO2 phase → baddeleyite phase → OI phase → cotunnite phase with increasing pressure. The cotunnite phase was the most stable
phase at pressures from 40 GPa to at least 70 GPa. The equation of state parameters for the cotunnite phase were established
on the platinum scale using the volume data at pressures of 37–68 GPa after laser annealing, in which the St value, an indicator of the magnitude of the uniaxial stress component in the samples, indicates that these measurements were
performed under quasi-hydrostatic conditions. The third-order Birch-Murnaghan equation of state at K
0′ = 4.25 yields V
0 = 15.14(5) cm3/mol and K
0 = 294(9), and the second-order Birch-Murnaghan equation of state yields V
0 = 15.11(5) cm3/mol and K
0 = 306(9). Therefore, we conclude that the bulk modulus for the cotunnite phase is not comparable to that of diamond. 相似文献
16.
We present Raman and infrared spectra of gypsum to 21 GPa at 300 K. Our measurements encompass the internal modes of the
(SO4)−4 group that lie between 400 and 1150 cm−1, hydroxyl-stretching vibrations between 3200 and 3600 cm−1, and a libration and bending vibrations of the molecular H2O group. All vibrations of the sulfate group have positive pressure shifts, while the hydroxyl-stretching and -bending vibrations
have a mixture of positive and negative pressure shifts: the effect of pressure on the hydrogen bonding of the water molecule
thus appears to be complex. Near 5 GPa, the two infrared-active bending vibrations of the water molecule coalesce, and the
morphology of the hydroxyl-stretching region of the spectrum shifts dramatically. This behavior is consistent with a pressure-induced
phase transition in gypsum in the vicinity of 5–6 GPa, which is observed to be reversible on decompression to zero pressure.
The spectral observations are consistent with the onset of increased disorder in the position of the water molecule in gypsum:
the sulfate vibrations are largely unaffected by this transition. The Raman-active symmetric stretch of the sulfate group
undergoes an apparent splitting near 4 GPa, which is interpreted to be produced by Fermi resonance with an overtone of the
symmetric bending vibration. The average mode Grüneisen parameter of the 20 vibrational modes we sample is less than 0.05,
in contrast to the bulk thermal Grüneisen parameter of 1.20. Accordingly, the vibrations of both water and sulfate units within
gypsum are highly insensitive to volumetric compaction. Therefore, in spite of the changes in the bonding of the water unit
near 5 GPa, metastably compressed gypsum maintains strongly bound molecular-like units to over 20 GPa at 300 K.
Received: 31 July 2000 / Accepted: 5 April 2001 相似文献
17.
Synthetic Zn-ferrite (ideally ZnFe2O4; mineral name: franklinite) was studied up to 37 GPa, by X-ray powder diffraction at ESRF (Grenoble, France), on the ID9
beamline; high pressure was achieved by means of a DAC. The P-V equation of state of franklinite was investigated using the
Birch-Murnaghan function, and the elastic properties thus inferred [K0 = 166.4(±3.0) GPa K0
′ = 9.3(±0.6) K0
″ = −0.22 GPa−1] are compared with earlier determinations for MgAl-spinel and magnetite. The structural behaviour of Zn-ferrite as a function
of pressure was studied by Rietveld refinements, and interpreted in the light of a phase transition from spinel to either
CaTi2O4- or MnFe2O4-like structure; this transformation occurs above 24 GPa.
Received: 15 March 1999 / Accepted: 22 April 2000 相似文献
18.
Takahiro Kuribayashi Masahiko Tanaka Yasuhiro Kudoh 《Physics and Chemistry of Minerals》2008,35(10):559-568
The natural norbergite, Mg2.98Fe0.01Ti0.02Si0.99O4(OH0.31F1.69) is examined by synchrotron X-ray diffraction analysis at pressures up to 8.2 GPa. The measured linear compressibilities
of the crystallographic axes are β
a
= 2.18(4) × 10−3, β
b
= 2.93(7) × 10−3, and β
c
= 2.77(7) × 10−3 (GPa−1), respectively and the calculated isothermal bulk modulus of the norbergite is K
T = 113(2) GPa based on the Birch–Murnaghan equation of state assuming a pressure derivative of K′ = 4. The crystal structures of norbergite are refined at room temperature and pressures of 4.7, 6.3, and 8.2 GPa, yielding
R values for the structure refinements of 4.6, 5.3, and 5.3%, respectively. The bulk moduli of the polyhedral sites are 293(15) GPa
for the tetrahedron, 106(5) GPa for the M2 octahedron, 113(2) GPa for the M3 octahedron, and 113(3) GPa for the total void
space. The bulk modulus exhibits a good linear correlation with the filling factor for polyhedral sites in structures of the
humite minerals and forsterite, reflecting the Si4+ + 4O2− ⇔ □ + 4(OH, F)− substitution in the humite minerals. Moreover, two simply linear trends were observed in the relationship between bulk modulus
and packing index for natural minerals and dense hydrous magnesium silicate minerals. This relationship would reflect that
the differences in compression mechanism were involved with hydrogen bonding in these minerals.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
19.
The phase transition boundary between the face-centered cubic (fcc) structure and hexagonal close-packed (hcp) structure in an Fe–Ni alloy was determined at pressures from 25 to 107 GPa by using an internally resistive-heated diamond
anvil cell (DAC), combined with in situ synchrotron X-ray diffraction measurements. The fcc–hcp phase transition boundary in Fe–9.7 wt% Ni is located at slightly lower temperatures than that in pure Fe, confirming the
previous understanding that the addition of Ni expands the stability field of the fcc phase. The dP/dT slope of the boundary was determined to be 0.0426 GPa/K, which is slightly larger than that of pure Fe. The pressure interval
of the two-phase region is about 6 GPa at a constant temperature, implying that the previous estimates by laser-heated DAC
experiments of 10–20 GPa were overestimated. The two-phase region of fcc + hcp would be limited to a pressure of about 120 GPa even in Fe–15 wt%Ni, excluding the possibility of the existence of the fcc phase in the inner core if the simple linear extrapolation of the two-phase region is applied. The pressure and temperature
dependences of the c/a axial ratio of the hcp phase in Fe–9.7 wt% Ni are generally consistent with those in pure Fe, suggesting that Ni has minor effects on the c/a ratio. 相似文献
20.
Angela Ullrich Ronald Miletich Tonci Balic-Zunic Lars Olsen Fabrizio Nestola Manfred Wildner Haruo Ohashi 《Physics and Chemistry of Minerals》2010,37(1):25-43
A compressional study of (Na,Ca)(Ti3+,Mg)Si2O6-clinopyroxenes was carried out at high pressures between 10−4 and 10.2 GPa using in situ single-crystal X-ray diffraction, Raman spectroscopy and optical absorption spectroscopy. Compressional
discontinuities accompanied by structural changes, in particular, the appearance of two distinct Ti3+–Ti3+ distances within the octahedral chains at 4.37 GPa, provide evidence for the occurrence of a phase transition in NaTi3+Si2O6. Equation-of-state parameters are K
0 = 115.9(7) GPa with K′ = −0.9(3) and K
0 = 102.7(8) GPa with K′ = 4.08(5) for the low- and high-pressure range, respectively. The transition involves a C2/c–P
[`1] \overline{1} symmetry change, which can be confirmed by the occurrence of new modes in Raman spectra. Since no significant discontinuity
in the evolution of the unit-cell volume with pressure has been observed, the transition appears to be second-order in character.
The influence of the coupled substitution Na+Ti3+↔Ca2+Mg2+ on the static compression behavior and the structural stability has been investigated using a sample of the intermediate
composition (Na0.54Ca0.46)(Mg0.46Ti0.54)Si2O6. No evidence for a deviation from continuous compression behavior has been found, neither in lattice parameter nor in structural
data and the fit of a third-order Birch–Murnaghan equation-of-state to the pressure–volume data yields a bulk modulus of K
0 = 109.1(5) GPa and K′ = 5.02(13). Raman and polarized absorption spectra have been compared to NaTiSi2O6 and reveal major similarities. The main driving force for the phase transition in NaTi3+Si2O6 is the localization of the Ti3+
d-electron and the accompanying distortion, which is suppressed in the (Na,Ca)(Ti3+,Mg)Si2O6-clinopyroxene. 相似文献