scholarly journals X-Ray Diffraction Study of Oxygen-Conducting Compounds Ln2Mo2O9(Ln = La, Pr)

2014 ◽  
Vol 70 (a1) ◽  
pp. C48-C48
Author(s):  
Alexander Antipin ◽  
Olga Alekseeva ◽  
Natalya Sorokina ◽  
Alexandra Kuskova ◽  
Michail Presniakov ◽  
...  
Keyword(s):  
High Temperature ◽  
Single Crystals ◽  
Basic Research ◽  
Cubic Phase ◽  
X Ray Diffraction ◽  
Oxide Systems ◽  
Transmission Microscopy ◽  
X Ray ◽  
Oxygen Conductivity ◽  
Oxygen Atoms

Lanthanum molibdate La2Mo2O9(LM) and the compounds on its basis (LAMOX) attract much attention because of the high oxygen conductivity (6x10-2Sm/cm), which were found by Lacorre group. LM has the first-order phase transition at about 5800C and two phases: low-temperature monoclinic α-phase (P21) and high-temperature β-phase (P213) [1]. In the present work single crystals Ln2Mo2O9(Ln = La, Pr) were obtained by spontaneous flux crystallization in the Ln2O3–MoO3oxide systems. The LM and PM single crystals are studied by precision X-ray diffraction and high-resolution transmission microscopy. A cubic cell with a = 7.155(1) and 7.155(1) Å was chosen for two LM samples (LM_I and LM_II, respectively). More than 90% (LM_I) and 60% (LM_II) of the reflections measured were indexed in this cell. The unit cell parameter of the PM compound is slightly shorter: a = 7.087(1) and 7.089(1) Å for the PM_I and PM_II samples, respectively. More than 90% of the reflections measured were indexed for both PM crystals. It was found that the LM_II crystal consists of two cubic components grown together; a ≍ 7.155 Å for both components. The crystal structures for two LM and two PM samples are determined in space group P213. It is found that La and Pr atoms, as well as Mo1 and O1 atoms, are located in the vicinity of 3-fold axes rather than on the axes like in the high-temperature cubic phase. In both structures, the O2 and O3 positions are partially occupied. The coexistence of different configurations of the Mo coordination environment facilitates the oxygen ion migration in the structure. Based on the X-ray data, activation energies of oxygen atoms are calculated and migration paths of oxygen ions in the structures are analyzed. The conductivity of PM crystals is close to that of LM crystals. Oxygen atoms O2 and O3 make main contributions to ion conductivity of LM and PM. This study was supported in part by part by the Russian Foundation for Basic Research (project no. 14-02-00531).

Structural-phase transition in (Cu2Te)2−x(ZnTe)x at high temperature

2021 ◽  
pp. 2150113
Author(s):  
H. B. Gasimov ◽  
R. M. Rzayev
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
High Temperature ◽  
Single Crystals ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Temperature Range ◽  
Xrd Study ◽  
Xrd Method

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.

X-ray diffraction study of oxygen-conducting compoundsLn2Mo2O9(Ln= La, Pr)

2014 ◽  
Vol 70 (4) ◽  
pp. 669-675 ◽  
Author(s):  
Alexander M. Antipin ◽  
Olga A. Alekseeva ◽  
Natalia I. Sorokina ◽  
Alexandra N. Kuskova ◽  
Michail Yu. Presniakov ◽  
...  
Keyword(s):  
Room Temperature ◽  
Cubic Phase ◽  
X Ray Diffraction ◽  
Ion Migration ◽  
Transmission Microscopy ◽  
Coordination Environment ◽  
X Ray ◽  
Oxygen Ions ◽  
Oxygen Ion ◽  
Oxygen Ion Migration

The La2Mo2O9(LM) and Pr2Mo2O9(PM) single crystals are studied using precision X-ray diffraction and high-resolution transmission microscopy at room temperature. The crystal structures are determined in the space groupP213. La and Pr atoms, as well as Mo1 and O1 atoms, are located in the vicinity of the threefold axes rather than on the axes as in the high-temperature cubic phase. In both structures studied, the O2 and O3 positions are partially occupied. The coexistence of different configurations of the Mo coordination environment facilitates the oxygen-ion migration in the structure. Based on the X-ray data, the activation energies of O atoms are calculated and the migration paths of oxygen ions in the structures are analysed. The conductivity of PM crystals is close to that of LM crystals. The O2 and O3 atoms are the main contributors to the ion conductivity of LM and PM.

Polymorphic transformations and thermal expansion of some modifications in Ag1.5Cu0.5Se and Ag0.4Cu1.6Se

2019 ◽  
Vol 33 (23) ◽  
pp. 1950271 ◽  
Author(s):  
Y. I. Aliyev ◽  
Y. G. Asadov ◽  
A. O. Dashdemirov ◽  
R. D. Aliyeva ◽  
T. G. Naghiyev ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
High Temperature ◽  
Temperature Dependence ◽  
Single Crystals ◽  
Diffraction Method ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Polymorphic Transformations ◽  
X Ray

The Ag[Formula: see text]Cu[Formula: see text]Se and Ag[Formula: see text]Cu[Formula: see text]Se compounds have been synthesized and grown as single crystals. High-temperature X-ray diffraction method was used to study polymorphic transformations. It is shown that the Ag[Formula: see text]Cu[Formula: see text]Se crystals of high-temperature FCC modification are decomposed into Ag2Se and AgCuSe when the temperature decreases below T = 488 K and Ag[Formula: see text]Cu[Formula: see text]Se is decomposed into Cu2Se and AgCuSe when the temperature decreases below T = 540 K. Transformations in both compounds are reversible. Crystalline parameters are obtained and the temperature dependence of the lattice parameters for each phase is built.

Diffraction Study of The Transformation of an Al-Cu-Fe Atomized Powder Upon Annealing at 500°C

2000 ◽  
Vol 643 ◽  
Author(s):  
P. Weisbecker ◽  
G. Bonhomme ◽  
A. Cael ◽  
L. Zhang ◽  
J.M. Dubois
Keyword(s):  
Diffraction Study ◽  
Initial Mixture ◽  
Heat Treatments ◽  
Cubic Phase ◽  
Nominal Composition ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cubic Phases ◽  
Cscl Type ◽  
Oxygen Atoms

AbstractUsing powder X-ray diffraction, we have studied the transformation of an atomized powder of nominal composition Al62Cu25.5Fe12.5 upon annealing at 500°C in air or in vacuum. The initial mixture of icosahedral and B2 cubic phases transforms within 2 hours into a nearly pure icosahedral compound. We observe however that a small amount of residual cubic phase is still present after annealings as long as 65 hours. Furthermore, the initial cubic phase splits in two components, a CsCl-type and a disordered bcc cubic phase. By comparison of the heat treatments in air and in vacuum, we point out that oxygen atoms diffuse into the icosahedral lattice.

ζ-Y2[Si2O7]: Ein neuer Strukturtyp in der Yttrialit-Reihe / ζ -Y2[Si2O7]: A New Structure Type within the Yttrialite Series

2006 ◽  
Vol 61 (9) ◽  
pp. 1054-1060 ◽  
Author(s):  
Ingo Hartenbach ◽  
Steffen F. Meier ◽  
Thomas Schleid
Keyword(s):  
Single Crystals ◽  
Title Compound ◽  
Structure Type ◽  
Unit Cell ◽  
Type Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vertex Sharing ◽  
A Minor ◽  
Oxygen Atoms

Abstract During attempts of preparing yttrium oxotellurates(IV) using Y2O3 and TeO2 in YCl3 fluxes, the occasional reaction of these educts with the walls of the evacuated silica ampoules led to colourless, lath-shaped single crystals of Y2[Si2O7] in the new ζ -type structure as a minor by-product which was investigated by X-ray diffraction. The title compound crystallizes monoclinically in the space group P21/m (a = 503.59(5), b = 806.47(8), c = 732.65(7) pm, β = 108.633(6)°) with two formula units per unit cell. The crystallographically unique Y3+ cation is coordinated by seven oxygen atoms (d(Y-O = 221 - 248 pm) arranged in the shape of a slightly distorted monocapped octahedron. The isolated oxodisilicate units [Si2O7]6− consist of two Si4+ cations and seven O2− anions of which five are crystallographically independent. These pyroanions (d(Si-O) = 161 - 168 pm, ∢ (O-Si-O) = 91 - 117°, ∢ (Si-O-Si) = 156°) exhibit an almost perfectly eclipsed conformation built of a horseshoeshaped backbone with the two silicon and three of the oxygen atoms situated on the mirror planes of the unit cell. The remaining four oxide anions complete this [Si2O7]6− entity of two vertex-sharing [SiO4]4− tetrahedra as terminal ligands for silicon. Assembled in planar layers parallel to (−1 0 1), the [Si2O7]6− anions are packed with their wide basal faces of the tetrahedra pointing towards the small waist of the adjacent units and vice versa. The yttrium cations reside between these layers in order to interconnect them three-dimensionally.

scholarly journals New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase

2017 ◽  
Vol 73 (6) ◽  
pp. 1105-1113 ◽  
Author(s):  
Elena V. Selezneva ◽  
Irina P. Makarova ◽  
Inna A. Malyshkina ◽  
Nadezhda D. Gavrilova ◽  
Vadim V. Grebenev ◽  
...  
Keyword(s):  
High Temperature ◽  
Dielectric Properties ◽  
Hydrogen Bonds ◽  
Single Crystals ◽  
Diffraction Data ◽  
Room Temperature ◽  
Ambient Conditions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Superprotonic Phase

Investigations of new single crystals grown in the K3H(SO4)2–(NH4)3H(SO4)2–H2O system from solutions with different K:NH4 concentration ratios have been carried out. Based on the X-ray diffraction data, the atomic structure of the crystals was determined at room temperature taking H atoms into account. It has been determined that [K0.43(NH4)0.57]3H(SO4)2 crystals are trigonal at ambient conditions such as the superprotonic phase of (NH4)3H(SO4)2 at high temperature. A distribution of the K and N atoms in the crystal was modelled on the basis of the refined occupancies of K/N positions. Studies of dielectric properties over the temperature range 223–353 K revealed high values of conductivity of the crystals comparable with the conductivity of known superprotonic compounds at high temperatures, and an anomaly corresponding to a transition to the phase with low conductivity upon cooling.

High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO3phases

2016 ◽  
Vol 72 (3) ◽  
pp. 381-388 ◽  
Author(s):  
Akira Yoshiasa ◽  
Tomotaka Nakatani ◽  
Akihiko Nakatsuka ◽  
Maki Okube ◽  
Kazumasa Sugiyama ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Temperature ◽  
Single Crystal ◽  
Diffraction Study ◽  
Relative Displacement ◽  
High Temperature Phase ◽  
Cubic Phase ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
X Ray

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.

Synthesis and Characterization of a Cubic Iron Hydroxy Boracite

2011 ◽  
Vol 66 (2) ◽  
pp. 107-114 ◽  
Author(s):  
Stephanie C. Neumair ◽  
Johanna S. Knyrim ◽  
Oliver Oeckler ◽  
Reinhard Kaindl ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Single Crystals ◽  
Room Temperature ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure High Temperature

The cubic iron hydroxy boracite Fe3B7O13OH・1.5H2O was synthesized from Fe2O3 and B2O3 under high-pressure/high-temperature conditions of 3 GPa and 960 °C in a modified Walker-type multianvil apparatus. The crystal structure was determined at room temperature by X-ray diffraction on single crystals. It crystallizes in the cubic space group F4̄3c (Z = 8) with the parameters a = 1222.4(2) pm, V = 1.826(4) nm3, R1 = 0.0362, and wR2 = 0.0726 (all data). The B-O network is similar to that of other cubic boracites.

Phase Relations and Conductivity in Ba2 (In2. xMx)O5, System

1999 ◽  
Vol 575 ◽  
Author(s):  
Akihiko Yamaji ◽  
Kazuya Kawakami ◽  
Masahiro Arai ◽  
Tadaharu Adachi
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Transition Temperature ◽  
Ion Conductivity ◽  
Cubic Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Changes ◽  
Element Doping ◽  
Mole Percentage

ABSTRACTThe high temperature cubic phase of Ba2 nr2O5 shows large ion conductivity. It is interestingto examine, if the cubic phase can be stabilized in the low temperature region (920 C) by making solid solution of another element. In the present study, we investigated the ion conductivity and the crystal structure of Ba2(In2-x.Mx)O5 system by substituting In site for element M such as Sc, Y, La, Ce, Nb, Ta etc. By substituting 3 mole % Nb for In, the transition temperature decreased by about 300 C. High temperature X-ray diffraction analysis shows the crystal structure changes from orthorhombic to cubic at this transition temperature. The effective elements which decreased the transition temperature were pentavalent or tetra valent elements such as Nb or Si ,Ce. The substitution In site for 20 mole percentage Nb stabilizes the cubic structure down to room temperature. Considering the transport number, the tetravalent element doping is very effective to stabilize the cubic phase of Ba2In2O5 without lose of excellent characteristic of pure Ba2ln2O5.

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