Synthesis, Rietveld refinement of crystal structure, electron diffraction, and electrical transport properties of Ba2(Ca1–x–yFexNby)(Nb1–zFez)O6–δ double perovskites

2011 ◽  
Vol 89 (6) ◽  
pp. 688-696 ◽  
Author(s):  
Wang Hay Kan ◽  
Trang T. Trinh ◽  
Tobias Fürstenhaupt ◽  
Venkataraman Thangadurai
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Electrical Transport ◽  
Double Perovskite ◽  
Rietveld Analysis ◽  
X Ray Diffraction ◽  
Electrical Transport Properties ◽  
Solid State Method ◽  
Boundary Conductivity ◽  
Selected Area Electron Diffraction

We report the synthesis, crystal structure, and electrochemical properties of new Fe-doped Ba2(Ca1–x–yFexNby)(Nb1–zFez)O6–δ (Fe–BCN). The Fe–BCN was synthesized by a solid-state method in air using corresponding metal oxides and salts at elevated temperature. All of the observed powder X-ray diffraction (PXRD) peaks of the investigated Fe–BCN were indexed as cubic Fm-3m (space group No. 225) double perovskite-type structure with cell constants a ∼ 8.4 Å and is consistent with selected area electron diffraction (SAED). Rietveld analysis suggested the distribution of Fe was at both 4a and 4b sites, supported the proposed chemical formula Ba2(Ca1–x–yFexNby)(Nb1–zFez)O6–δ. This was further verified by bond valence sum (BVS) analysis of the cations. The Fe–BCN showed superior chemical stability in pure CO2 and boiling H2O confirmed by PXRD and FTIR. The electrical conductivity was determined by AC impedance spectroscopy. Among the samples investigated, Ba2(Ca0.79Fe0.21)(Nb0.71Fe0.29)O6–δ showed the highest total (bulk + grain-boundary) conductivity of 1.1 × 10−2 S cm–1 in humidified (3%) N2 at 600 °C with activation energy of 0.43 eV in the temperature range 200–800 °C.

scholarly journals Research on Degradation of Dye Acid Red B by Sr2FeMoO6Synthesized by Microwave Sintering Method

2012 ◽  
Vol 9 (2) ◽  
pp. 818-824 ◽  
Author(s):  
Yong-Qing Zhai ◽  
Jing Qiao ◽  
Man-De Qiu
Keyword(s):  
Crystal Structure ◽  
Electrical Transport ◽  
Microwave Sintering ◽  
Double Perovskite ◽  
Electrical Transport Properties ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal Structure ◽  
Semiconductor Behavior ◽  
Degradation Activity ◽  
Sintering Method

Double perovskite Sr2FeMoO6was synthesized rapidly by microwave sintering method. The crystal structure of the sample was investigated by XRD. It shows that the as-synthesized sample is Sr2FeMoO6with tetragonal crystal structure and I4/mmm space group. The test of electrical transport properties shows that the sample exhibits typical semiconductor behavior in the temperature range of 80~300 K. The influence of the dosage of the sample, light irradiation sources, and time on the efficiency of degradation have been studied. The results show Sr2FeMoO6exhibits excellent degradation activity for dye Acid Red B, the decolorization rate is close to 100% under proper conditions. Meanwhile, a mechanism related to the process of degradation is proposed.

scholarly journals Synchrotron X-ray diffraction study of double perovskites Sr2RNbO6 (R = Sm, Gd, Dy, Ho, Y, Tm, and Lu)

2018 ◽  
Vol 33 (4) ◽  
pp. 279-286
Author(s):  
W. Wong-Ng ◽  
J. A. Kaduk ◽  
S. H. Lapidus ◽  
L. Ribaud ◽  
S. P. Diwanji
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Powder Diffraction ◽  
Double Perovskite ◽  
Rietveld Analysis ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
X Ray ◽  
Analysis Technique ◽  
Diffraction Patterns

A series of double-perovskite oxides, Sr2RNbO6 (R = Sm, Gd, Dy, Ho, Y, Tm, and Lu) were prepared and their crystal structure and powder diffraction reference patterns were determined using the Rietveld analysis technique. The crystal structure of each of the Sr2RNbO6 phase is reported in this paper. The R = Gd, Ho, and Lu samples were studied using synchrotron radiation, while R = Sm, Dy, Y, and Tm samples were studied using laboratory X-ray diffraction. Members of Sr2RNbO6 are monoclinic with a space group of P21/n and are isostructural with each other. Following the trend of “lanthanide contraction”, from R = Sm to Lu, the lattice parameters “a” of these compounds decreases from 5.84672(10) to 5.78100(3) Å, b from 5.93192(13) to 5.80977(3) Å, c from 8.3142(2) to 8.18957(5) Å, and V decreases from 288.355(11) to 275.057(2) Å3. In this double-perovskite series, the R3+ and Nb5+ ions are structurally ordered. The average Nb–O bond length is nearly constant, while the average R–O bond length decreases with the decreasing ionic radius of R3+. Powder diffraction patterns for these compounds have been submitted to the Powder Diffraction File (PDF).

Bimolecular and Monomolecular Lipid Films: Selected Area Electron Diffraction

1969 ◽  
Vol 27 ◽  
pp. 338-339
Author(s):  
Robert M. Glaeser ◽  
David W. Deamer
Keyword(s):  
Electron Diffraction ◽  
Membrane Structure ◽  
Molecular Organization ◽  
Membrane Material ◽  
X Ray Diffraction ◽  
Membrane Systems ◽  
X Ray ◽  
Selected Area Electron Diffraction ◽  
Lipid Films ◽  
Ultimate Objective

In the investigation of the molecular organization of cell membranes it is often supposed that lipid molecules are arranged in a bimolecular film. X-ray diffraction data obtained in a direction perpendicular to the plane of suitably layered membrane systems have generally been interpreted in accord with such a model of the membrane structure. The present studies were begun in order to determine whether selected area electron diffraction would provide a tool of sufficient sensitivity to permit investigation of the degree of intermolecular order within lipid films. The ultimate objective would then be to apply the method to single fragments of cell membrane material in order to obtain data complementary to the transverse data obtainable by x-ray diffraction.

Dynamic low-dose electron diffraction and imaging of phase transitions in polymers

1993 ◽  
Vol 51 ◽  
pp. 890-891
Author(s):  
David C. Martin ◽  
Jun Liao
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Electron Diffraction ◽  
Low Dose ◽  
Dark Field ◽  
Continuous Change ◽  
Selected Area Electron Diffraction ◽  
Resolution Electron ◽  
Chain Axis ◽  
High Resolution Electron Micrographs

By careful control of the electron beam it is possible to simultaneously induce and observe the phase transformation from monomer to polymer in certain solid-state polymcrizable diacetylenes. The continuous change in the crystal structure from DCHD diacetylene monomer (a=1.76 nm, b=1.36 nm, c=0.455 nm, γ=94 degrees, P2l/c) to polymer (a=1.74 nm, b=1.29 nm, c=0.49 nm, γ=108 degrees, P2l/c) occurs at a characteristic dose (10−4C/cm2) which is five orders of magnitude smaller than the critical end point dose (20 C/cm2). Previously we discussed the progress of this phase transition primarily as observed down the [001] zone (the chain axis direction). Here we report on the associated changes of the dark field (DF) images and selected area electron diffraction (SAED) patterns of the crystals as observed from the side (i.e., in the [hk0] zones).High resolution electron micrographs (HREM), DF images, and SAED patterns were obtained on a JEOL 4000 EX HREM operating at 400 kV.

scholarly journals Structure, Morphology, Heat Capacity, and Electrical Transport Properties of Ti3(Al,Si)C2 Materials

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3222
Author(s):  
Kamil Goc ◽  
Janusz Przewoźnik ◽  
Katarzyna Witulska ◽  
Leszek Chlubny ◽  
Waldemar Tokarz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Heat Capacity ◽  
Specific Heat ◽  
Electrical Transport ◽  
Residual Resistivity ◽  
Max Phase ◽  
Electrical Transport Properties ◽  
Debye Temperatures ◽  
Si Content ◽  
Hot Pressing Sintering

A study of Ti3Al1−xSixC2 (x = 0 to x = 1) MAX-phase alloys is reported. The materials were obtained from mixtures of Ti3AlC2 and Ti3SiC2 powders with hot pressing sintering technique. They were characterised with X-ray diffraction, heat capacity, electrical resistivity, and magnetoresistance measurements. The results show a good quality crystal structure and metallic properties with high residual resistivity. The resistivity weakly varies with Si doping and shows a small, positive magnetoresistance effect. The magnetoresistance exhibits a quadratic dependence on the magnetic field, which indicates a dominant contribution from open electronic orbits. The Debye temperatures and Sommerfeld coefficient values derived from specific heat data show slight variations with Si content, with decreasing tendency for the former and an increase for the latter. Experimental results were supported by band structure calculations whose results are consistent with the experiment concerning specific heat, resistivity, and magnetoresistance measurements. In particular, they reveal that of the s-electrons at the Fermi level, those of Al and Si have prevailing density of states and, thus predominantly contribute to the metallic conductivity. This also shows that the high residual resistivity of the materials studied is an intrinsic effect, not due to defects of the crystal structure.

Effect of Iron Substitution on Structure and Optical Properties of Nanocrystalline CaTiO3

2008 ◽  
Vol 3 ◽  
pp. 123-128 ◽  
Author(s):  
A. Bandyopadhyay ◽  
S. Mondal ◽  
M. Pal ◽  
Umapada Pal ◽  
M. Pal
Keyword(s):  
Crystal Structure ◽  
Particle Size ◽  
Iron Concentration ◽  
Rietveld Analysis ◽  
Exothermic Peak ◽  
Optical And Electrical Properties ◽  
X Ray Diffraction ◽  
Chemical Route ◽  
X Ray ◽  
Soft Chemical Route

Nanocrystalline CaTiO3 powders doped with Fe2O3 have been prepared using a soft chemical route. Precipitation of CaTiO3 nanocrystals has been studied by monitoring the exothermic peak in their DSC spectra. The crystal growth temperature of the samples depends on the concentration of iron. Surface morphology, crystal structure, optical and electrical properties of the nanostructures are investigated. X-ray diffraction study shows that the as-prepared powders are amorphous in nature and CaTiO3 phase formation starts at around 500 0C. Rietveld analysis revealed that the particle size of iron substituted CaTiO3 is in nanometer range. Optical bandgap of the nanostructures varies from 4.3 to 3.7 eV for the variation of iron concentration from 0.05 to 0.2 mole %.

Structure of Carbonated Hydroxyapatite Based on Rietveld Method

2008 ◽  
Vol 368-372 ◽  
pp. 1187-1189
Author(s):  
Xu Ran ◽  
Jun Guo Ran ◽  
Li Gou ◽  
Ji Yong Chen ◽  
Jiao Min Luo
Keyword(s):  
Crystal Structure ◽  
Sintering Temperature ◽  
Rietveld Method ◽  
Rietveld Analysis ◽  
Structure Parameters ◽  
X Ray Diffraction ◽  
Carbonated Hydroxyapatite ◽  
X Ray ◽  
Quantitative Results ◽  
Distortion Index

The crystalline structures of B-type carbonated hydroxyapatite (CHA) powders sintered at 700, 900 and 1100°C, respectively, were studied by Rietveld analysis of powder X-ray diffraction (XRD) data. A series of structure parameters, including lattice parameters (a and c), bond length and the distortion index of PO4 tetrahedron (Dind) were calculated by Rietveld method to characterize the fine structure of CHA. The broadening effect of XRD reflections was separated to calculate the micro-strain and crystalline size. The results showed that CHA become more stable with the increase of sintering temperature, but the CO3 2- is almost lost at temperature of 1100°C. The quantitative results about crystal structure of CHA based on crystalline structure simulated by Rietveld method are obtained.

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