High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K

1995 ◽  
Vol 22 (5) ◽  
Author(s):  
Hexiong Yang ◽  
Subrata Ghose
Author(s):  
Akira Yoshiasa ◽  
Tomotaka Nakatani ◽  
Akihiko Nakatsuka ◽  
Maki Okube ◽  
Kazumasa Sugiyama ◽  
...  

A high-temperature single-crystal X-ray diffraction study of a synthetic PbTiO3perovskite was carried out over the wide temperature range 298–928 K. A transition from a tetragonal (P4mm) to a cubic (Pm \bar 3 m) phase has been revealed near 753 K. In the non-centrosymmetricP4mmsymmetry group, the difference in relative displacement between Pb and O along thec-axis is much larger than that between Ti and O. The Pb and Ti cations contribute sufficiently to polarization being shifted in the opposite direction compared with the shift of O atoms. Deviation from the linear changes in Debye–Waller factors and bonding distances in the tetragonal phases can be interpreted as a precursor phenomenon before the phase transition. Disturbance of the temperature factorUeqfor O is observed in the vicinity of the transition point, whileUeqvalues for Pb and Ti are continuously changing with increasing temperature. The O site includes the clear configurational disorder in the cubic phase. The polar local positional distortions remain in the cubic phase and are regarded as the cause of the paraelectricity. Estimated values of the Debye temperature ΘDfor Pb and Ti are 154 and 467 K in the tetragonal phase and decrease 22% in the high-temperature phase. Effective potentials for Pb and Ti change significantly and become soft after the phase transition.


Author(s):  
Andriy V. Tkachuk ◽  
Yurij Mozharivskyj ◽  
Arthur Mar

AbstractA variable temperature single-crystal X-ray diffraction study was undertaken on the intermetallic compound YbCuBi, which undergoes a phase transition at ∼375 K. At low temperatures (


Author(s):  
Katharina Ehrmann ◽  
Stefan Baudis ◽  
Berthold Stöger

The phase transition of E-vanillyl oxime {1-[(E)-(hydroxyimino)methyl]-4-hydroxy-3-methoxybenzene, C8H9NO3} has been analysed by single-crystal and powder X-ray diffraction. The high-temperature (HT) phase (P21/a, Z′ = 1) transforms into the low-temperature (LT) phase (threefold superstructure, P\overline{1}, Z′ = 6) at ca 190 K. The point operations lost on cooling, {m [010], 2[010]}, are retained as twin operations and constitute the twin law. The screw rotations and glide reflections are retained in the LT phase as partial operations acting on a subset of Euclidean space {\bb E}^3. The full symmetry of the LT phase, including partial operations, is described by a disconnected space groupoid which is built of three connected components.


1996 ◽  
Vol 52 (a1) ◽  
pp. C364-C364
Author(s):  
J. A. Guevara ◽  
S. L. Cuffini ◽  
Y. P. Mascarenhas ◽  
P. de la Presa ◽  
A. Ayala ◽  
...  

Author(s):  
H. B. Gasimov ◽  
R. M. Rzayev

Cu2Te single crystal was grown by the Bridgman method. X-ray diffraction (XRD) study of Cu2Te single crystals in the temperature range of 293–893 K was performed and possible phase transitions in the mentioned range of temperature have been investigated. (Cu2Te)[Formula: see text](ZnTe)[Formula: see text] single crystals also were grown with [Formula: see text], 0.05, 0.10 concentrations and structural properties of the obtained single crystals were investigated by the XRD method in the temperature range 293–893 K. Lattice parameters and possible phase transitions in the mention temperature range were determined for (Cu2Te)[Formula: see text](ZnTe)[Formula: see text] single crystals for [Formula: see text], 0.05, 0.10 concentrations.


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