Search results for "Crystal System"
showing 10 items of 13557 documents
Thermal expansion of LiZr2(PO4)3: Water inclusion influence
1989
Abstract Lattice thermal expansion has been measured on three samples of composition LiZr 2 (PO 4 ) 3 , prepared by (i) a ceramic method, (ii) a gel-route and (iii) a nonstoichiometric ceramic. The first sample is monoclinic (?), with a transition at 50°C to rhombohedral. The second is clearly monoclinic with lattice parameters depending on the calcination temperature (700 to 1200°C. The third kind of synthesis yielded a new PO 4 -deficitary rhombohedral structure. X-ray diffraction measurements in a high temperature camera have been made from room temperature up to 1100°C. Lattice parameters, as well as their dependence on temperature are different for the three samples. While thermal expa…
Post-spinel transformations and equation of state inZnGa2O4: Determination at high pressure byin situx-ray diffraction
2009
Room-temperature angle-dispersive x-ray diffraction measurements on spinel ZnGa{sub 2}O{sub 4} up to 56 GPa show evidence of two structural phase transformations. At 31.2 GPa, ZnGa{sub 2}O{sub 4} undergoes a transition from the cubic spinel structure to a tetragonal spinel structure similar to that of ZnMn{sub 2}O{sub 4}. At 55 GPa, a second transition to the orthorhombic marokite structure (CaMn{sub 2}O{sub 4}-type) takes place. The equation of state of cubic spinel ZnGa{sub 2}O{sub 4} is determined: V{sub 0} = 580.1(9) {angstrom}{sup 3}, B{sub 0} = 233(8) GPa, B'{sub 0} = 8.3(4), and B''{sub 0} = -0.1145 GPa{sup -1} (implied value); showing that ZnGa{sub 2}O{sub 4} is one of the less comp…
Sixfold coordinated phosphorus by oxygen in AlPO4 quartz homeotype under high pressure.
2007
International audience; AlPO4 belongs to the berlinite quartz homeotype family, which has been the subject of intense high pressure research triggered by the supposed existence of reversible pressure induced amorphization. New x-ray diffraction experiments, complemented with ab initio calculations, demonstrate the existence of two high pressure crystalline polymorphs and show that AlPO4 share the same two stage densification mechanism as silica. In first place a compact hexagonal sublattice of oxygen atoms is formed. In a second step the cations redistribute in the interstices giving rise to a monoclinic distorted CaCl2 phase. The most outstanding feature of the new phase is that phosphorou…
Discovery of new boron-rich chalcogenides: Orthorhombic B6X (X=S, Se)
2020
The authors thank T. Chauveau (LSPM) for help with Rietveld analysis, A. Jamali (LRCS) for assistance with SEM measurements, and Drs. Y. Tange (SPring-8) and N. Guignot (SOLEIL) for help in synchrotron experiments that were carried out during beamtimes allocated to proposals 2017A1047 & 2018A1121 at SPring-8 and proposal 20170092 at SOLEIL. Ab initio calculations have been performed using Rurik and Arkuda supercomputers. This work was financially supported by the European Union’s Horizon 2020 Research and Innovation Programme under Flintstone2020 project (grant agreement No. 689279). Z.W. thanks the National Science Foundation of China (grant No. 11604159). A.R.O. thanks the Russian Ministr…
Synchrotron diffraction study of the isothermal oxidation of uranium dioxide at 250°C
2003
ABSTRACTThe structural evolution of UO2 during its oxidation to U3O8 at 250°C in air was studied by in-situ synchrotron X-ray diffraction on the D2AM-CRG beamline at ESRF. The aim of this study is to determine the phases that are likely to appear during the long-term storage of spent nuclear fuel. Our results are in disagreement with the literature in which the existence of an intermediate cubic phase is not reported. Instead, an α-U3O7 tetragonal phase (c/a < 1) was mentioned but not definitively observed. These previous interpretations may have been the result of poor instrumental resolution.
A study of KNbO3in the pressure range to 12 GPa using synchrotron radiation
1997
Abstract Orthorhombic KNbO3 has been studied by x-ray diffraction as a function of pressure. The lattice cell parameters, volume and stability range of this phase have been determined as a function of the applied pressure. No structural transformation has been observed up to 12 GPa. The resulting P-V data are fitted to a Murnaghan equation state of first-order.
Structural and electric characteristics of (Na0.5Bi0.5)0.50Ba0.50TiO3 and (Na0.5Bi0.5)0.20Ba0.80TiO3 ceramics
2003
Abstract (Na0.5Bi0.5)0.50Ba0.50TiO3 and (Na0.5Bi0.5)0.20Ba0.80TiO3 ceramics have been prepared by the solid state reaction and studied by X-ray diffraction and by measurements of dielectric and ferroelectric properties between room temperature and 550 °C. A sharp increase in the electric permittivity and dielectric loss near 212 °C (for the first material) and near 205 °C (for the second material) on heating with remarkable thermal hysteresis have been observed. This sharp increase in dielectric responses indicates transformation between normal and relaxor ferroelectric states. The X-ray diffraction study shows that this transformation corresponds to the first order phase transition from te…
Detection of morphotropic phase boundary in A-site/Ca-substituted Na0.5Bi0.5TiO3 complex oxides ferroelectric system
2020
Abstract Vibrational and structural properties of lead-free piezoelectric (1-x)Na0.5Bi0.5TiO3–xCaTiO3 (0 ≤ x ≤ 1.00) solid solutions have been investigated using Raman spectroscopy and X-ray diffraction. Different anomalies were detected and analyzed taking into consideration the phase transition from rhombohedral to orthorhombic phase at room temperature. All Raman bands were interpreted through the variation in the peak positions (frequency) and the corresponding half-widths at half maximum (HWHM) as a function of x. XRD used as a complementary technique to Raman spectroscopy, showed that the rhombohedral – orthorhombic phase transition went gradually through an intermediate phase consist…
Pressure-induced phase transformations in mineral chalcocite, Cu2S, under hydrostatic conditions
2014
Abstract High-pressure room-temperature angle-dispersive powder X-ray diffraction measurements on Cu2S chalcocite were performed up to 30 GPa using a diamond-anvil cell, He as pressure transmitting medium and synchrotron radiation. Two first-order phase transitions were found at 3.2 and 7.4 GPa. The indexation of the powder diffraction patterns suggests three different monoclinic cells for the low-pressure chalcocite and the two high-pressure phases. Subtle changes in the X-ray diffraction patterns suggest a third pressure-induced transition above 26 GPa. Structural parameters and compressibility are discussed and compared to those reported in a previous study on Cu2S nanowires.
Stability of FeVO4 under Pressure: An X-ray Diffraction and First-Principles Study
2018
The high-pressure behavior of the crystalline structure FeVO4 has been studied by means of X-ray diffraction using a diamond-anvil cell and first-principles calculations. The experiments were carried out up to a pressure of 12.3 GPa, until now the highest pressure reached to study an FeVO4 compound. High-pressure X-ray diffraction measurements show that the triclinic P1 (FeVO4-I) phase remains stable up to ≈3 GPa; then a first-order phase transition to a new monoclinic polymorph of FeVO4 (FeVO4-II′) with space group C2/m is observed, having an α-MnMoO4-type structure. A second first-order phase transition is observed around 5 GPa toward the monoclinic (P2/c) wolframite-type FeVO4-IV structu…