A new pyroxene structure at high pressure; single-crystal X-ray and Raman study of the Pbcn-P21cn phase transition in protopyroxene

1999 ◽  
Vol 84 (3) ◽  
pp. 245-256 ◽  
Author(s):  
Hexiong Yang ◽  
Larry W. Finger ◽  
Pamela G. Conrad ◽  
Charles T. Prewit ◽  
Robert M. Hazen
2017 ◽  
Vol 102 (3) ◽  
pp. 666-673 ◽  
Author(s):  
Anna Pakhomova ◽  
Leyla Ismailova ◽  
Elena Bykova ◽  
Maxim Bykov ◽  
Tiziana Boffa Ballaran ◽  
...  

1998 ◽  
Vol 83 (3-4) ◽  
pp. 288-299 ◽  
Author(s):  
Hexiong Yang ◽  
Robert M. Hazen ◽  
Charles T. Prewitt ◽  
Larry W. Finger ◽  
Lu Ren ◽  
...  

2009 ◽  
Vol 149 (3-4) ◽  
pp. 136-141 ◽  
Author(s):  
Chih-Ming Lin ◽  
Hwo-Shuenn Sheu ◽  
Min-Hsiung Tsai ◽  
Bi-Ru Wu ◽  
Sheng-Rui Jian

2004 ◽  
Vol 60 (1) ◽  
pp. 1-9 ◽  
Author(s):  
R. J. Angel ◽  
U. Bismayer ◽  
W. G. Marshall

Pure lead phosphate, Pb3(PO4)2, undergoes a phase transition from C2/c to R\bar 3m symmetry at a pressure of approximately 1.8 GPa and room temperature. Single-crystal X-ray diffraction measurements of the unit-cell parameters of a sample doped with 1.6% Ba2+ for the Pb2+ indicates that the doping reduces the transition pressure by approximately 0.1 GPa. The structural evolution of both samples through the phase transition has been determined by Rietveld refinement of neutron powder diffraction data collected to pressures of 6.3 and 3.3 GPa, respectively. There is no evidence for any significant change in the local structure at the phase transition at high pressures; the structure of the R\bar 3m phase at pressures just above the phase transition includes disordered positions for several atoms. The observation of diffuse scattering from the R\bar 3m phase at high pressure by single-crystal X-ray diffraction suggests that the disorder is static and arises from the presence of several orientations of the ordered microdomains of the monoclinic local structure. The macroscopic transition from monoclinic to trigonal symmetry therefore appears to correspond to the pressure at which the coherency strains between the locally monoclinic microdomains are sufficient to create a dimensionally trigonal lattice within which local displacements of atoms are still significant. A further pressure increase then decreases the magnitude of these displacements until at 3.5 GPa or higher they are not detectable by our current experimental probes, and the structure appears to have true local and global trigonal symmetry.


1987 ◽  
Vol 20 (3) ◽  
pp. 195-199 ◽  
Author(s):  
S. Åsbrink ◽  
M. Malinowski

The unit-cell parameters of the mixed-valence oxide V3O5 have been studied as functions of pressure from 0.3 up to 7.5 GPa in a single-crystal experiment involving measurements at 21 different pressure values. A diamond-anvil high-pressure (h.p.) cell of new construction [Malinowski (1987). Submitted to J. Appl. Cryst.] mounted on a four-circle X-ray diffractometer was used. At Pt = 6.25(9) GPa a phase transition was observed at room temperature. This is analogous to the semiconductor-metal transition observed at Tt = 428 K and normal pressure, which implies a change in the ordering of the metal-atom valencies. The linear Eulerian strain tensor for the transition has been calculated. The bulk modulus K has been determined for the low-pressure (l.p.) as well as for the h.p. phase: K l.p.(0.3–5.5 GPa) = 269(3), K h.p.(6.3–7.5 GPa) = 175(11) GPa. Certain anomalies in the cell-parameter values in a small pressure interval around the phase transition indicate a preparation in the crystal structure for the transition in both the l.p. and the h.p. phase.


2010 ◽  
Vol 66 (3) ◽  
pp. 280-291 ◽  
Author(s):  
Bernd J. Maier ◽  
Ross J. Angel ◽  
William G. Marshall ◽  
Boriana Mihailova ◽  
Carsten Paulmann ◽  
...  

We have employed a combination of powder neutron diffraction and single-crystal synchrotron X-ray diffraction to characterize the pressure-induced phase transitions that occur in the perovskite-type relaxor ferroelectric PbSc0.5Ta0.5O3 (PST) and Pb0.78Ba0.22Sc0.5Ta0.5O3 (PST-Ba). At ambient pressure the symmetry of the average structure for both compounds is Fm\bar{3}m as a result of partial ordering of the Sc and Ta cations on the octahedral sites. At pressures above the phase transition both the neutron and X-ray diffraction patterns exhibit an increase in the intensities of h,k,l = all odd reflections and no appearance of additional Bragg reflections. Synchrotron single-crystal X-ray diffraction data show that the intensity of hhh peaks, h = 2n + 1, does not change with pressure. This indicates that the structural distortion arising from the phase transition has a glide-plane pseudo-symmetry along the 〈111〉 cubic directions. Rietveld refinement to the neutron powder data shows that the high-pressure phase has either R\bar{3}c or R\bar{3} symmetry, depending on whether the presence of 1:1 octahedral cation ordering is neglected or taken into account, and comprises octahedral tilts of the type a − a − a − that continuously evolve with pressure. The cubic-to-rhombohedral transition is also marked by a large increase in the anisotropy of the displacement ellipsoids of the Pb cations, indicating larger displacements of Pb cations along the rhombohedral threefold axis rather than within the perpendicular plane. For PST the anisotropy of the Pb displacement parameters decreases at approximately 3 GPa above the phase-transition pressure. For both PST and PST-Ba the average magnitudes of Pb-cation displacements expressed in terms of isotropic displacement ellipsoids gradually decrease over the entire pressure range from ambient to 7.35 GPa.


2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.


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