scholarly journals Polar and non-polar structures of NH4TiOF3

2019 ◽  
Vol 52 (1) ◽  
pp. 23-26
Author(s):  
O. Boytsova ◽  
I. Dovgaliuk ◽  
D. Chernyshov ◽  
A. Eliseev ◽  
P. O'Brien ◽  
...  
Keyword(s):  
Room Temperature ◽  
Phase 1 ◽  
Structural Features ◽  
X Ray Diffraction ◽  
X Ray ◽  
Β Phase ◽  
Α Phase ◽  
Starting Compound ◽  
Different Temperatures ◽  
Fourfold Axis

Ammonium oxofluorotitanate, NH4TiOF3, is probably the best known precursor for the synthesis of anatase mesocrystals. Transformation of NH4TiOF3 into TiO2 through thermal decomposition, accompanied by hydrolysis, preserves some structural features of the precursor. Currently, any discussion of the mechanism of this transformation is difficult, as the exact crystal structure of the starting compound is not available and no intermediate structures are known. This article describes the outcome of single-crystal and powder X-ray diffraction studies, revealing the existence of two polymorphs of the parent NH4TiOF3 at different temperatures. A second-order phase transition from the polar Pca21 α phase (1), stable at room temperature, to the Pma2 β phase (2) above ∼433 K has been demonstrated. The direction of the pseudo-fourfold axis in NH4TiOF3 coincides with the orientation of the fourfold axis of anatase mesocrystals, consistent with a topotactical transformation.

Mechanical Alloying Behavior in the Nb-Si, Ta-Si, and Nb-Ta-Si Systems

1988 ◽  
Vol 133 ◽  
Author(s):  
K. S. Kumar ◽  
S. K. Mannan
Keyword(s):  
High Temperature ◽  
Mechanical Alloying ◽  
Mechanical Milling ◽  
Room Temperature ◽  
Crystalline Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Β Phase ◽  
Α Phase

ABSTRACTThe mechanical alloying behavior of elemental powders in the Nb-Si, Ta-Si, and Nb-Ta-Si systems was examined via X-ray diffraction. The line compounds NbSi2 and TaSi2 form as crystalline compounds rather than amorphous products, but Nb5Si3 and Ta5Si3, although chemically analogous, respond very differently to mechanical milling. The Ta5Si3 composition goes directly from elemental powders to an amorphous product, whereas Nb5Si3 forms as a crystalline compound. The Nb5Si3 compound consists of both the tetragonal room-temperature α phase (c/a = 1.8) and the tetragonal high-temperature β phase (c/a = 0.5). Substituting increasing amounts of Ta for Nb in Nb5Si3 initially stabilizes the α-Nb5Si3 structure preferentially, and subsequently inhibits the formation of a crystalline compound.

scholarly journals X-Ray Investigations of the Low-Temperature Phases of the Organic Metals α- and β-(BEDT-TTF)2I3

1986 ◽  
Vol 41 (11) ◽  
pp. 1319-1324 ◽  
Author(s):  
H. Endres ◽  
H. J. Keller ◽  
R. Swietlik ◽  
D. Schweitzer ◽  
K. Angermund ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Differential Thermal Analysis ◽  
Room Temperature ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Slight Variation ◽  
X Ray ◽  
Organic Metals ◽  
Β Phase ◽  
Α Phase

The structure of single crystals of the organic metals α- and β-(BEDT-TTF)2I3* was determined at 100 K, well below the phase transitions indicated by resistivity and thermopower measurements as well as by differential thermal analysis. In the α-phase no unusual change of the room temperature unit cell but a slight variation in the triiodide network and especially a more pronounced dimerization in one of the two donor stacks have been found. The β-phase develops a superstructure with a unit cell volume three times as large as that at room temperature and with pronounced distortions of the I3--ions.

Microstructural and Corrosion Studies by Immersion in 3.5% NaCl Solution on Aged Mg-9Al-1Zn-XCa Alloy

2019 ◽  
Vol 969 ◽  
pp. 93-97
Author(s):  
S. Manivannan ◽  
B. Narenthiran ◽  
A. Sivanantham ◽  
S.P. Kumaresh Babu
Keyword(s):  
Corrosion Behaviour ◽  
Nacl Solution ◽  
X Ray Diffraction ◽  
Corrosion Attack ◽  
X Ray ◽  
Α Phase ◽  
Corrosion Studies ◽  
Different Temperatures ◽  
Xrd Techniques ◽  
Scanning Electron

The experimatal alloys were aged at different temperatures of 180°C, 200°C, 220°C, and 240º C with calcium addition levels of (X=0.5, 1, 1.5, 2%) on Mg-6Al-1Zn-XCa alloy were investigated in 3.5% NaCl solution. All the experimatal alloys were immersed in 3.5% NaCl solutions and the resulted surface were analyzed to study the corrosion behaviour and its surface topography by optical microscopy (OM), scanning electron microscopy (SEM), energy dispersed spectroscopy (EDS) and X-ray diffraction (XRD) techniques. The result shows that corrosion attack occurred predominantly on ß phase and α phase exhibit relatively minor corrosion. In addition to that the increased aging temperature coarsens the intermetallic as well as α- Mg grains, which shows adverse effect to corrosion resistances and the best result were obtained at composition of 0.5wt.% Ca aged at 200°C.

Differences and similarities among hypoxanthinium nitrate hydrate structures

2019 ◽  
Vol 75 (8) ◽  
pp. 1036-1044 ◽  
Author(s):  
Małgorzata Katarzyna Cabaj ◽  
Roman Gajda ◽  
Anna Hoser ◽  
Anna Makal ◽  
Paulina Maria Dominiak
Keyword(s):  
Room Temperature ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Nitrate Hydrate ◽  
Different Temperatures ◽  
Lower Temperature ◽  
Low Temperature Phase ◽  
Nitrate Anions

Crystals of hypoxanthinium (6-oxo-1H,7H-purin-9-ium) nitrate hydrates were investigated by means of X-ray diffraction at different temperatures. The data for hypoxanthinium nitrate monohydrate (C5H5N4O+·NO3 −·H2O, Hx1) were collected at 20, 105 and 285 K. The room-temperature phase was reported previously [Schmalle et al. (1990). Acta Cryst. C46, 340–342] and the low-temperature phase has not been investigated yet. The structure underwent a phase transition, which resulted in a change of space group from Pmnb to P21/n at lower temperature and subsequently in nonmerohedral twinning. The structure of hypoxanthinium dinitrate trihydrate (H3O+·C5H5N4O+·2NO3 −·2H2O, Hx2) was determined at 20 and 100 K, and also has not been reported previously. The Hx2 structure consists of two types of layers: the `hypoxanthinium nitrate monohydrate' layers (HX) observed in Hx1 and layers of Zundel complex H3O+·H2O interacting with nitrate anions (OX). The crystal can be considered as a solid solution of two salts, i.e. hypoxanthinium nitrate monohydrate, C5H5N4O+·NO3 −·H2O, and oxonium nitrate monohydrate, H3O+(H2O)·NO3 −.

scholarly journals Compositional Dependence of Structural Properties of Prepared Alloys and Films

2011 ◽  
Vol 2011 ◽  
pp. 1-6
Author(s):  
M. F. A. Alias ◽  
A. A. J. Al-Douri ◽  
E. M. N. Al-Fawadi ◽  
A. A. Alnajjar
Keyword(s):  
Room Temperature ◽  
Thermal Evaporation ◽  
High Accuracy ◽  
Compositional Dependence ◽  
X Ray Diffraction ◽  
Thermal Evaporation Method ◽  
X Ray ◽  
Glass Substrates ◽  
Different Temperatures ◽  
Good Agreement

Results of a study of alloys and films with various Pb content have been reported and discussed. Films of of thickness 1.5 μm have been deposited on glass substrates by flash thermal evaporation method at room temperature, under vacuum at constant deposition rate. These films were annealed under vacuum around 10−6Torr at different temperatures up to 523 K. The composition of the elements in alloys was determined by standard surfaces techniques such as atomic absorption spectroscopy (AAS) and X-ray fluorescence (XRF), and the results were found of high accuracy and in very good agreement with the theoretical values. The structure for alloys and films is determined by using X-ray diffraction. This measurement reveals that the structure is polycrystalline with cubic structure and there are strong peaks at the direction (200) and (111). The effect of heat treatment on the crystalline orientation, relative intensity, and grain size of films is presented.

Investigation on β-Polypropylene/Talc Composites

2012 ◽  
Vol 182-183 ◽  
pp. 259-264
Author(s):  
Jia Wei Duan ◽  
Qiang Dou
Keyword(s):  
Polarized Light ◽  
Nucleating Agent ◽  
Mechanical Tests ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Melt Compounding ◽  
Β Phase ◽  
Α Phase ◽  
Melting And Crystallization

In this study polypropylene (PP) composites containing β-nucleating agent (NT-C) and talc filler were prepared by melt compounding. The melting and crystallization behavior, morphology and mechanical properties of the composites were studied by means of differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD), polarized light microscopy (PLM) and mechanical tests. The results indicate that talc suppresses the formation of β phase, but promotes the formation of α phase. The Izod notched impact strength and tensile strength of β-PP/talc composites are superior to those of PP/talc composites, indicating an outstanding balance of stiffness and toughness of β-PP/talc composites.

INFLUENCE OF SAMARIUM SUBSTITUTION ON IMPEDANCE DIELECTRIC AND ELECTROMECHANICAL PROPERTIES OF Pb(1-x)K2xNb2O6

2007 ◽  
Vol 21 (06) ◽  
pp. 931-945 ◽  
Author(s):  
K. SAMBASIVA RAO ◽  
P. MURALI KRISHNA ◽  
D. MADHAVA PRASAD ◽  
JOON HYUNG LEE
Keyword(s):  
Impedance Spectroscopy ◽  
Room Temperature ◽  
Single Phase ◽  
Piezoelectric Properties ◽  
Orthorhombic Structure ◽  
X Ray Diffraction ◽  
Electromechanical Properties ◽  
X Ray ◽  
Different Temperatures ◽  
Ferroelectric Hysteresis

Ferroelectric, hysteresis, impedance spectroscopy parameters, AC conductivity, and piezoelectric properties in the ceramics of Pb 0.74 K 0.52 Nb 2 O 6 and Pb 0.74 K 0.13 Sm 0.13 Nb 2 O 6 have been studied. X-ray diffraction study reveals single phase with the orthorhombic structure. The samples were characterized for ferroelectric and impedance spectroscopy properties from room temperature to 600°C. Cole–Cole plots (Z″ versus Z′) are drawn at different temperatures. The results obtained are analyzed to understand the conductivity mechanism in both the samples. The piezoelectric constant d33 has been found to be 96 × 10-12 C/N in PKN.

Structure and properties of Al–Mg mechanical alloys

2003 ◽  
Vol 18 (8) ◽  
pp. 1827-1836 ◽  
Author(s):  
Mirko Schoenitz ◽  
Edward L. Dreizin
Keyword(s):  
Solid Solution ◽  
Energetic Materials ◽  
Amorphous Material ◽  
Bulk Composition ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Β Phase ◽  
Α Phase ◽  
Diffraction Microscopy

Mechanically alloys in the Al–Mg binary system in the range of 5–50 at.% Mg were produced for prospective use as metallic additives for propellants and explosives. Structure and composition of the alloys were characterized by x-ray diffraction microscopy (XRD) and scanning electron microscopy. The mechanical alloys consisted of a supersaturated solid solution of Mg in the α aluminum phase, γ phase (Al12Mg17), and additional amorphous material. The strongest supersaturation of Mg in the α phase (20.8%) was observed for bulk Mg concentrations up to 40%. At 30% Mg, the γ phase formed in quantities detectable by XRD; it became the dominating phase for higher Mg concentrations. No β phase (Al3Mg2) was detected in the mechanical alloys. The observed Al solid solution generally had a lower Mg concentration than the bulk composition. Thermal stability and structural transitions were investigated by differential scanning calorimetry. Several exothermic transitions, attributed to the crystallization of β and γ phases were observed. The present work provides the experimental basis for the development of detailed combustion and ignition models for these novel energetic materials.

Phase Constitution and Heat Treatment Behavior of Zr-Nb Alloys

2007 ◽  
Vol 561-565 ◽  
pp. 1435-1440 ◽  
Author(s):  
Masahiko Ikeda ◽  
Tsuyoshi Miyazaki ◽  
Satoshi Doi ◽  
Michiharu Ogawa
Keyword(s):  
Heat Treatment ◽  
Elastic Modulus ◽  
Elastic Moduli ◽  
X Ray Diffraction ◽  
Phase Constitution ◽  
X Ray ◽  
Β Phase ◽  
Ω Phase ◽  
Solution Treated ◽  
Α Phase

Phase constitution in the solution-treated and quenched state and the heat treatment behavior were investigated by electrical resistivity, hardness, and elastic modulus measurements, X-ray diffraction, and optical microscopy. Hexagonal martensite and the β phase were identified in the Zr-5mass%Nb alloy. β and ω phases were identified in the Zr-10 and 15mass%Nb alloys, and only the β phase was identified in the Ti-20Nb alloy. Resistivity at RT, Vickers hardness and elastic modulus increased up to 10Nb and then decreased dramatically at 15Nb. Above 15Nb, these values slightly decreased. The elastic moduli for 15Nb and 20Nb were 59.5 and 55.5 GPa, respectively. On isochronal heat treatment, the isothermal ω phase precipitated between 473 and 623 K and then the α phase precipitated in the 10Nb, 15Nb and 20Nb alloys.

The Flavonoids of Combretum quadrangulare: Crystal structures of the Polymorphic Forms of 5-Hydroxy-2-(4'-hydroxy-3',5'-dimethoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one

1985 ◽  
Vol 38 (8) ◽  
pp. 1177 ◽  
Author(s):  
IR Castleden ◽  
SR Hall ◽  
S Nimgirawath ◽  
S Thadaniti ◽  
AH White
Keyword(s):  
Least Squares ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Β Phase ◽  
Α Phase ◽  
Polymorphic Forms

The following substituted 2-phenyl-4H-1-benzopyran-4-ones have been isolated from the dried flowers of Combretum quadrangulare Kurz ( Combretaceae ): 5-hydroxy-3,3′,4′,5′,7-pentamethoxy ( combretol ) (1), 3′,5-dihydroxy-3,4′,7-trimethoxy ( ayanin ) (2) and 4′,5-dihydroxy- 3,3′,5′,7-tetramethoxy (3). The last substance (3) was obtained as a mixture of two polymorphic forms (α and β) each of which was characterized by X-ray diffraction. Diffractometer data at 295 K were refined by full matrix least squares to residuals of 0.043 (1181 'observed' reflections) for the α-phase and 0.044 (1421) for the β phase of (3). Crystals of the α-phase of (3) are triclinic, Pī, a 12.663(6), b 9.592(4), c 7.444(4) Ǻ, α 102.48(3), β 101.39(4), γ 91.72(4)°,Z 2. Crystals of the β-phase of (3) are monoclinic P21/n, a 17.139(8), b 12.728(6), c 7.845(7) Ǻ, β 95.07(6)°, Z 4. An unambiguous synthesis of (3) was also achieved.

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