scholarly journals Двухфазность кристаллической структуры твердых растворов (1-x)PbFe-=SUB=-2/3-=/SUB=-W-=SUB=-1/3-=/SUB=-O-=SUB=-3-=/SUB=--xPbTiO-=SUB=-3-=/SUB=- (x=0.25,0.3,0.35) при комнатной температуре

2021 ◽  
Vol 91 (1) ◽  
pp. 72
Author(s):  
Н.В. Зайцева ◽  
А.А. Набережнов ◽  
Е.П. Смирнова
Keyword(s):  
Crystal Structure ◽  
Phase Boundary ◽  
Morphotropic Phase Boundary ◽  
Solid Solutions ◽  
Tetragonal Phase ◽  
Room Temperature ◽  
Lead Ions ◽  
X Ray Diffraction ◽  
X Ray

The evolution of the crystal structure of (1-x) PbFe2 / 3W1 / 3O3 - хPbTiO3 solid solutions depending on the PbTiO3concentrations (at x = 0.25, 0.3, 0.35) in the region of the morphotropic phase boundary was studied using x-ray diffraction at room temperature. It was established that all three compositions are a mixture of cubic and tetragonal phases, and an increase in the concentration of PbTiO3 above 30 mol. % leads to an increase of the tetragonal phase contribution. The parameters of the crystal structure and the content of both phases in these solid solutions are determined. It was shown that at room temperature there are static displacements of lead ions from the principle crystallographic positions.

Phase Diagram of the W-doped Pb(Zn1/3Nb2/3)O3–BaTiO3– PbTiO3 System Around a Morphotropic Phase Boundary Composition

2002 ◽  
Vol 17 (5) ◽  
pp. 1085-1091 ◽  
Author(s):  
W. Z. Zhu ◽  
M. Yan ◽  
A. L. Kholkin ◽  
P. Q. Mantas ◽  
J. L. Baptista
Keyword(s):  
High Temperature ◽  
Phase Boundary ◽  
Morphotropic Phase Boundary ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electrical Neutrality ◽  
Phase Boundary Composition ◽  
A Site ◽  
Successive Phase

The morphotropic phase boundary (MPB) composition that is characterized by the coexistence of rhombohedral and tetragonal phases in the Pb(Zn1/3Nb2/3)O3–BaTiO3– PbTiO3 system was modified by W-doping at the B site of a perovskite structural block. To maintain the electrical neutrality, creation of A-site vacancies was intentionally introduced in the formulation of the examined compositions. Incorporation of W ions was revealed to stabilize the tetragonal phase against the rhombohedral one, shifting the MPB toward the PZN-rich end at room temperature. High-temperature x-ray diffraction examination in combination with dielectric measurements discloses two successive phase transitions as a sample is cooled from high temperature, namely, paraelectric cubic to ferroelectric rhombohedral followed by ferroelectric rhombohedral to ferroelectric tetragonal. W addition appears to suppress the first transition while promoting the second one.

X-ray Diffraction Studies of Solid Solutions of Pentaglycerine-Neopentylglycol

1988 ◽  
Vol 32 ◽  
pp. 609-616 ◽  
Author(s):  
D. Chandra ◽  
C. S. Barrett ◽  
D. K. Benson
Keyword(s):  
Crystal Structure ◽  
Energy Storage ◽  
Hydrogen Bonds ◽  
Solid Solutions ◽  
Room Temperature ◽  
Energy Storage Materials ◽  
Anisotropic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cubic Structure

AbstractAn array of molecules that is anisotropic in the extreme has been discovered in certain thermal-energy storage materials and is reported here: neopentylglycol (NPG) and NPG-rich solid solutions with pentaglycerine (PG) have a crystal structure, stable at room temperature, that consists of bimolecular chains of molecules that are all unidirectionally aligned throughout a crystal. There are hydrogen bonds between every molecule in one chain and its neighbors in that chain, but none between molecules of one chain and any molecules of the neighboring parallel chains. Thus there are strong intermolecular bonds along each chain and only weaker bonds between the chains. The structure has been determined by using modern single crystal techniques with 529 independent reflections from a crystal of NPG (C5H12O2). The structure is monoclinic with space group P21/c - C2h5. This anisotropic structure transforms to a cubic structure at higher temperatures.

High-temperature X-ray powder diffraction study of the tetragonal-cubic phase transition in nanocrystalline, compositionally homogeneous ZrO2–CeO2 solid solutions

2008 ◽  
Vol 23 (S1) ◽  
pp. S70-S74 ◽  
Author(s):  
L. M. Acuña ◽  
R. O. Fuentes ◽  
D. G. Lamas ◽  
I. O. Fábregas ◽  
N. E. Walsöe de Reca ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
High Temperature ◽  
Powder Diffraction ◽  
Solid Solutions ◽  
Tetragonal Phase ◽  
Room Temperature ◽  
Cubic Phase ◽  
X Ray ◽  
First Order

Crystal structure of compositionally homogeneous, nanocrystalline ZrO2–CeO2 solutions was investigated by X-ray powder diffraction as a function of temperature for compositions between 50 and 65 mol % CeO2. ZrO2-50 and 60 mol % CeO2 solid solutions, which exhibit the t′-form of the tetragonal phase at room temperature, transform into the cubic phase in two steps: t′-to-t″ followed by t″-to-cubic. But the ZrO2-65 mol % CeO2, which exhibits the t″-form, transforms directly to the cubic phase. The results suggest that t′-to-t″ transition is of first order, but t″-to-cubic seems to be of second order.

scholarly journals Structural and electromechanical study of Bi0.5Na0.5TiO3-BaTiO3 solid-solutions

2013 ◽  
Vol 7 (2) ◽  
pp. 73-80 ◽  
Author(s):  
Biswanath Parija ◽  
Tanmaya Badapanda ◽  
Pratap Sahoo ◽  
Manoranjan Kar ◽  
Pawan Kumar ◽  
...  
Keyword(s):  
Solid Solution ◽  
Raman Spectroscopy ◽  
Phase Boundary ◽  
Morphotropic Phase Boundary ◽  
Solid Solutions ◽  
Structural Changes ◽  
Boundary Region ◽  
X Ray Diffraction ◽  
Conventional Solid State Reaction ◽  
X Ray

Solid solution of (1-x)Bi0.5Na0.5TiO3-xBaTiO3 have been synthesized via conventional solid-state reaction route. Structural changes of the solid-solutions were investigated by using X-ray diffraction, Rietveld refinement Raman spectroscopy and piezoelectric studies. X-ray diffraction analysis shows a distinct 002/200 peak splitting appearing at x = 0.07 showing the coexistence of rhombohedral and tetragonal phase. Raman spectroscopy shows a splitting of (TO3) mode at x = 0.07 confirming the presence of the morphotropic phase boundary region. The dominant bands in the Raman spectra are analyzed by observing the changes in their respective peak positions, widths and intensities as the x increases. The piezoelectric properties of the solid solution increase with rise in BaTiO3 content and shows optimum value at x = 0.07 owing to the co-existence of two ferroelectric phases. Based on these results, it is suggested that the morphotropic phase boundary in the studied system lies in the composition x = 0.07.

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

Mechanically Driven Dissolution of Sn in Near-Equiatomic Bcc FeCo

2012 ◽  
Vol 194 ◽  
pp. 187-193 ◽  
Author(s):  
J.M. Loureiro ◽  
Benilde F.O. Costa ◽  
Gerard Le Caër ◽  
Bernard Malaman
Keyword(s):  
Magnetic Field ◽  
Solid Solutions ◽  
Room Temperature ◽  
Hyperfine Magnetic Field ◽  
Ternary Alloys ◽  
119Sn Mössbauer Spectroscopy ◽  
X Ray Diffraction ◽  
Mechanically Alloyed ◽  
Powder Mixtures ◽  
X Ray

Ternary alloys, (Fe50−x/2Co50−x/2)Snx(x ≤ 33 at.%), are prepared by mechanical alloying from powder mixtures of the three elements. As-milled alloys are studied by X-ray diffraction and 57Fe and 119Sn Mössbauer spectroscopy. The solubility of Sn in near-equiatomic bcc FeCo is increased from ~0.5 at. % at equilibrium to ~20 at.% in the used milling conditions. The average 119Sn hyperfine magnetic field at room temperature is larger, for any x, than the corresponding fields in mechanically alloyed Fe-Sn solid solutions.

Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature

CrystEngComm ◽  
2021 ◽  
Author(s):  
Gennady V. Shilov ◽  
Elena I. Zhilyaeva ◽  
Sergey M. Aldoshin ◽  
Alexandra M Flakina ◽  
Rustem B. Lyubovskii ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electrical Resistivity ◽  
Single Crystal ◽  
Room Temperature ◽  
Organic Conductor ◽  
X Ray Diffraction ◽  
X Ray ◽  
Resistivity Measurements ◽  
Molecular Conductor ◽  
Abrupt Changes

Electrical resistivity measurements of a dual layered organic conductor (ET)4ZnBr4(1,2-C6H4Cl2) above room temperature show abrupt changes in resistivity at 320 K. Single-crystal X-ray diffraction studies in the 100-350 K range...

CRYSTAL STRUCTURE OF ZIRCONIUM TRICHLORIDE

1964 ◽  
Vol 42 (10) ◽  
pp. 1886-1889 ◽  
Author(s):  
B. Swaroop ◽  
S. N. Flengas
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Main Cell ◽  
Diffraction Patterns

The crystal structure of zirconium trichloride was determined from X-ray diffraction patterns. Zirconium trichloride belongs to the [Formula: see text]space group. The dimensions of the main cell at room temperature are: a = 5.961 ± 0.005 Å and c = 9.669 ± 0.005 Å.The density of zirconium trichloride was measured and gave the value of 2.281 ± 0.075 g/cm3 while, from the X-ray calculations, the value was found to be 2.205 g/cm3.

scholarly journals Equimolar Yttria-Stabilized Zirconia and Samaria-Doped Ceria Solid Solutions

Ceramics ◽  
2018 ◽  
Vol 1 (2) ◽  
pp. 343-352 ◽  
Author(s):  
Reginaldo Muccillo ◽  
Daniel de Florio ◽  
Eliana Muccillo
Keyword(s):  
Tetragonal Phase ◽  
Room Temperature ◽  
Single Phase ◽  
Rietveld Analysis ◽  
X Ray Diffraction ◽  
Ceramic Powders ◽  
Stabilized Zirconia ◽  
X Ray ◽  
Ceria Solid Solutions ◽  
Attrition Milling

Compositions of (ZrO2)0.92(Y2O3)0.08 (zirconia: 8 mol % yttria—8YSZ) and (CeO2)0.8(Sm2O3)0.2 (ceria: 20 mol % samaria—SDC20) ceramic powders were prepared by attrition milling to form an equimolar powder mixture, followed by uniaxial and isostatic pressing. The pellets were quenched to room temperature from 1200 °C, 1300 °C, 1400 °C and 1500 °C to freeze the defects configuration attained at those temperatures. X-ray diffraction analyses, performed in all quenched pellets, show the evolution of the two (8YSZ and SDC20) cubic fluorite structural phases to a single phase at 1500 °C, identified by Rietveld analysis as a tetragonal phase. Impedance spectroscopy analyses were carried out in pellets either quenched or slowly cooled from 1500 °C. Heating the quenched pellets to 1000 °C decreases the electrical resistivity while it increases in the slowly cooled pellets; the decrease is ascribed to annealing of defects created by lattice micro-tensions during quenching while the increase to partial destabilization of the tetragonal phase.

Study of thermal properties of Ga0.5In1.5Se3 by differential scanning calorimetry

2021 ◽  
pp. 2150407
Author(s):  
S. I. Ibrahimova
Keyword(s):  
Crystal Structure ◽  
Differential Scanning Calorimetry ◽  
Thermal Properties ◽  
Thermal Effects ◽  
Room Temperature ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
Hexagonal Symmetry ◽  
Scanning Calorimetry ◽  
X Ray

The crystal structure and thermal properties of the [Formula: see text] compound have been investigated. Structural studies were performed by X-ray diffraction at room temperature. The crystal structure of this compound was found to correspond to the hexagonal symmetry of the space group P61. Thermal properties were studied using a differential scanning calorimetry (DSC). It was found in the temperature range [Formula: see text] that thermal effects occur at temperatures [Formula: see text] and [Formula: see text]. The thermodynamic parameters of these effects are calculated.

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