Structural Analysis of a Complex Oxide Eu2Mn2/3Nb4/3O7 with a Pyrochlore-Related Structure

2004 ◽  
Vol 449-452 ◽  
pp. 969-972
Author(s):  
G. Chen ◽  
Hiromi Nakano ◽  
Hirohisa Sato ◽  
Naoki Kamegashira
Keyword(s):  
Structural Analysis ◽  
Pyrochlore Structure ◽  
Complex Oxide ◽  
Type Structure ◽  
Related Structure ◽  
X Ray Diffraction ◽  
Diffraction Profile ◽  
X Ray ◽  
Fundamental Reflection ◽  
Diffraction Patterns

The complex oxide Eu2Mn2/3Nb4/3O7 structurally characterized by powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results of XRD structure analysis shown that the X-ray diffraction profile calculated with monoclinic C2/c model is in a good agreement with the observed X-ray diffraction patterns. In addition to fundamental reflection peaks, super lattice lines could be also assigned with C2/c symmetry. Therefore, it is derived that Eu2Mn2/3Nb4/3O7 phase has not a pyrochlore structure but has a zirconolite-type structure (pyrochlore-related structure) with a C2/c space group. Eu2Mn2/3Nb4/3O7 has two kinds of distorted MO6 octahedra and HTB layers, which deviates from the regular forms. The microstructure of Eu2Mn2/3Nb4/3O7 investigated by TEM also proved the results of XRD structural analysis. It was viewed that HRTEM image of a characteristic twin structure in Eu2Mn2/3Nb4/3O7 which a zirconolite-type structure has.

Synthesis, Structural, Morphological and I-V Characteristics of Polyaniline-MgCl Composite

2022 ◽  
Vol 1048 ◽  
pp. 141-146
Author(s):  
Madihally Nagaraja ◽  
Geetha Thippeswamy ◽  
Sushma Prashanth ◽  
Jayadev Pattar ◽  
Mahesh Hampapatna Mahesh
Keyword(s):  
Structural Analysis ◽  
Oxidative Polymerization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Sem Micrographs ◽  
Morphological Studies ◽  
Current Voltage ◽  
Amorphous Nature ◽  
Diffraction Patterns ◽  
Polymerization Method

Composite of polyaniline-MgCl has been synthesized using oxidative polymerization method. Synthesized samples were characterized for structural analysis using FTIR and XRD. Morphological studies were carried by SEM micrographs. Current-Voltage (I-V) properties are obtained through Kiethly source meter. FTIR spectrum of polyaniline-MgCl composite indicates all the characteristic peaks of polyaniline. X-ray diffraction patterns represented the amorphous nature of polyaniline-MgCl composite. SEM micrographs confirmed the presence of MgCl particles in polyaniline matrix. I-V characteristics have shown the ohmic type behavior of polyaniline and polyaniline-MgCl composite.

(Rare Earth/Li) Titanates and Niobates as Ionic Conductors

2000 ◽  
Vol 658 ◽  
Author(s):  
A. Morata-Orrantia ◽  
S. García-Martín ◽  
E. Morán ◽  
U. Amador ◽  
M. A. Alario-Franco
Keyword(s):  
Rare Earth ◽  
Ionic Conductivity ◽  
Lithium Ion ◽  
Related Structure ◽  
Ionic Conductors ◽  
X Ray Diffraction ◽  
X Ray ◽  
Properties Of Materials ◽  
Ion Conducting ◽  
Diffraction Patterns

ABSTRACTThe lithium ion conducting properties of materials of composition La0.58Li0.26TiO3, Nd0.58Li0.26TiO3, La0.67Li0.25Ti0.75Al0.25O3 and La0.29Li0.12NbO3 have been compared in relation with their microstructure. All the oxides have powder X-ray diffraction patterns characteristic of a perovskite-related structure with lattice parameters a∼√2ap, b∼√2ap, c∼2ap (p refers to cubic perovskite). However, some important differences are observed in their microstructure by SAED and HRTEM. Ordering between vacancies, Li+ and La3+ or Nd3+ and twinning of the NbO6 or TiO6 octahedra tilting system are shown in La0.29Li0.12NbO3 and Nd0.58Li0.26TiO3, which are the materials having a lower ionic conductivity. The La0.58Li0.26TiO3 and La0.67Li0.25Ti0.75Al0.25O3 oxides do not show ordering between cations.

An expert system for the structural characterization of kaolinites

Clay Minerals ◽  
1990 ◽  
Vol 25 (3) ◽  
pp. 249-260 ◽  
Author(s):  
A. Plançon ◽  
C. Zacharie
Keyword(s):  
Expert System ◽  
Defect Structure ◽  
Defect Structures ◽  
X Ray Diffraction ◽  
Diffraction Profile ◽  
X Ray ◽  
Diffraction Patterns ◽  
Xrd Patterns

AbstractUntil recently, the determination of the defect structures (previously referred to incorrectly as “crystallinity”) of kaolinites has been obtained in one of two ways: (1) measurement of the Hinckley index, or (2) by comparing calculated X-ray diffraction patterns based on a model of the defect structure (including types of defects and abundances) with experimental diffraction profiles. The Hinckley method is simple and easy to perform but contains no real information about the defect structure. Calculated XRD patterns are based on real defects but these calculations are time consuming and require some skill in application. Another approach is proposed: an expert system which will accurately describe the defect structure of kaolinites based on a few measurements taken from a normal powder diffraction profile. This system has been verified for nine kaolinite samples for which the defect structure was previously determined by comparison of calculated and observed diffraction profiles. The expert system reproduced the correct defect structure for each of the samples.

X-Ray Diffraction Profile Analysis of Powdered Samples

1989 ◽  
Vol 4 (2) ◽  
pp. 70-73 ◽  
Author(s):  
G.J. Stanisz ◽  
J.M. Holender ◽  
J. Sołtys
Keyword(s):  
Powder Diffraction ◽  
Profile Analysis ◽  
Quantitative Phase Analysis ◽  
X Ray Diffraction ◽  
Diffraction Profile ◽  
X Ray ◽  
Experimental Profile ◽  
Analytical Functions ◽  
Numerical Studies ◽  
Diffraction Patterns

AbstractA quantitative phase analysis often requires advanced numerical studies to determine the appropriate intensity values. In this paper the method of fitting analytical functions to the experimental profile is applied to X-ray powder diffraction patterns obtained with FeK radiation. In the present work, the authors examine some problems connected with numerical studies, especially the function describing the experimental profile. The usefulness of the α2 elimination procedure and the angular dependence FWHM are also examined.

scholarly journals Evolution of Face-Centered Cubic Ti Alloys Transformation by X-ray Diffraction Profile Analysis in Mechanical Alloying

Metals ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1841
Author(s):  
Edgar Pio ◽  
Ariosto Medina ◽  
Carola Martínez ◽  
Felipe Manuel Castro Cerda ◽  
Claudio Aguilar
Keyword(s):  
Mechanical Alloying ◽  
Profile Analysis ◽  
Rietveld Method ◽  
Planetary Mill ◽  
Face Centered Cubic ◽  
X Ray Diffraction ◽  
Diffraction Profile ◽  
X Ray ◽  
Diffraction Patterns ◽  
Face Centered

Four titanium alloys (Ti-Ta, Ti-Ta-Sn, Ti-Ta-Mn, and Ti-Nb-Sn) were synthesized by mechanical alloying (MA) in a planetary mill in different times between 2 h and 100 h. The microstructure characterization was made by X-ray diffraction (XRD), in which the Rietveld method was applied to analyze the diffraction patterns. The study demonstrated that after short milling times between 2 h and 30 h, the fraction of hexagonal close-packed (hcp) phase decreases; at the same time, the formation of body-centered cubic (bcc) and face-centered cubic (fcc) Ti phases are promoted. Additionally, after 30 h of MA, the full transformation of hcp-Ti was observed, and the bcc-Ti to fcc-Ti phase transformation took place until 50 h. The results suggest that the addition of Ta and Sn promotes the fcc-Ti phase formation, obtaining 100% of this phase at 50 h onwards, whereas Nb and Mn show the opposite effect.

Crystal chemistry and X-ray diffraction patterns for Co(NixZn1−x)Nb4O12(x= 0.2, 0.4, 0.6, 0.8)

2016 ◽  
Vol 31 (4) ◽  
pp. 279-284
Author(s):  
G. Liu ◽  
W. Wong-Ng ◽  
J. A. Kaduk
Keyword(s):  
Crystal Chemistry ◽  
Powder Diffraction ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Single Chain ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray ◽  
Cobalt Nickel ◽  
Diffraction Patterns

X-ray reference powder patterns and structures have been determined for a series of cobalt-, nickel- and zinc-containing niobates, Co(NixZn1−x)Nb4O12(x= 0.2, 0.4, 0.6, 0.8). The Co(NixZn1−x)Nb4O12series crystallize in the space group ofPbcn, which is of the disordered columbite-type structure (α-PbO2). The lattice parameters range froma= 14.11190(13) to 14.1569(3) Å,b= 5.69965(6) to 5.71209(13) Å,c= 5.03332(5) to 5.03673(11) Å, andV= 404.844(8) to 407.296(17) Å3fromx= 0.8 to 0.2, respectively. Co(NixZn1−x)Nb4O12contains double zig-zag chains of NbO6octahedra and single chain of (Ni,Zn,Co)O6octahedra run parallel to thebc-plane. Within the same chain the NbO6octahedra share edges, while the adjacent NbO6chains are joined to each other through common oxygen corners. These double NbO6chains are further linked together along the [100]-direction through another (Co,Ni,Zn)O6units, via common oxygen corners. The edge-sharing (Co,Ni,Zn)O6also forms zig-zag chains along thec-axis. Powder X-ray diffraction patterns of this series of compounds have been submitted to be included in the Powder Diffraction File.

scholarly journals PyXRD v0.6.2: a FOSS program to quantify disordered, layered minerals using multi-specimen X-ray diffraction profile fitting

2015 ◽  
Vol 8 (3) ◽  
pp. 2497-2528
Author(s):  
M. Dumon ◽  
E. Van Ranst
Keyword(s):  
Mixed Layer ◽  
Real Life ◽  
Source Model ◽  
X Ray Diffraction ◽  
Diffraction Profile ◽  
X Ray ◽  
Mineral Assemblages ◽  
Single Pattern ◽  
Diffraction Patterns ◽  
Set Up

Abstract. This paper presents a free and open-source model called PyXRD (short for Python X-ray diffraction) to improve the quantification of complex, poly-phasic mixed-layer phyllosilicate assemblages. The novelty of this model is the ab initio incorporation of the multi-specimen method, making it possible to share phases and (a selection of) their parameters across multiple specimens. By effectively reducing the number of parameters and increasing the number of observations, this approach speeds up the manual refinement process significantly when automated algorithms are used. To check the hypothesis that the multi-specimen set-up can improve automatic parameter refinement, we calculated X-ray diffraction patterns for four theoretical mineral assemblages. These patterns were then used as input for a refinement employing the multi-specimen set-up and one employing the single-pattern set-ups. For all of the assemblages, PyXRD was able to reproduce or approximate the input parameters with the multi-specimen approach. Diverging solutions only occurred in single-pattern set-ups which do not contain enough information (e.g. patterns of heated samples) to discern all the different minerals. Assuming a correct qualitative interpretation was made and a single pattern exists in which all phases are sufficiently discernible, the obtained results indicate a good quantification can often be obtained with just that pattern. For naturally occurring samples, this could mean modelling air-dry and/or ethylene-glycolated patterns might be sufficient. However, these results from theoretical experiments cannot automatically be extrapolated to all real-life experiments. In any case, PyXRD has proven to be very useful when X-ray diffraction patterns are modelled for complex mineral assemblages containing mixed-layer phyllosilicates with a multi-specimen approach.

Crystalline-to-Amorphous Transitions in Ti-Ni Alloys

1985 ◽  
Vol 62 ◽  
Author(s):  
R. Pelton ◽  
P. Moine ◽  
M. A. Noack ◽  
R. Sinclair
Keyword(s):  
Structural Analysis ◽  
Alloy Composition ◽  
Composition Range ◽  
Sputter Deposition ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ni Alloys ◽  
Diffraction Patterns

ABSTRACTTi-Ni alloys have been made amorphous over a broad composition range by sputter deposition, ion implantation and electron irradiation. Structural analysis of these alloys was made by electron diffraction techniques. Microdensitometer traces of diffraction patterns produced scattering profiles from which radial distribution functions (RDF's) were derived. The results from this analysis were comparable to those from x-ray diffraction studies on similar alloys. It was found that the positions of the intensity maxima vary systematically with alloy composition. However, values of coordination number were less precise due to experimental uncertainties. Furthermore, no dramatic differences were observed in the RDF's of the samples amorphized by the three techniques.

Evaluation of Freezing Methods by Low Temperature X-Ray Diffraction

1977 ◽  
Vol 35 ◽  
pp. 330-333
Author(s):  
T. Gulik-Krzywicki ◽  
M.J. Costello
Keyword(s):  
Biological Materials ◽  
Molecular Organization ◽  
X Ray Diffraction ◽  
Glass Capillary ◽  
X Ray ◽  
Rate Dependent ◽  
Before And After ◽  
Freeze Etching ◽  
Diffraction Patterns ◽  
Set Up

Freeze-etching electron microscopy is currently one of the best methods for studying molecular organization of biological materials. Its application, however, is still limited by our imprecise knowledge about the perturbations of the original organization which may occur during quenching and fracturing of the samples and during the replication of fractured surfaces. Although it is well known that the preservation of the molecular organization of biological materials is critically dependent on the rate of freezing of the samples, little information is presently available concerning the nature and the extent of freezing-rate dependent perturbations of the original organizations. In order to obtain this information, we have developed a method based on the comparison of x-ray diffraction patterns of samples before and after freezing, prior to fracturing and replication.Our experimental set-up is shown in Fig. 1. The sample to be quenched is placed on its holder which is then mounted on a small metal holder (O) fixed on a glass capillary (p), whose position is controlled by a micromanipulator.

Examination of Rabbit Fc Crystals

1968 ◽  
Vol 26 ◽  
pp. 140-141
Author(s):  
J. P. Robinson ◽  
P. G. Lenhert
Keyword(s):  
Molecular Weight ◽  
Flat Plate ◽  
Phosphate Buffer ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutral Ph ◽  
Small Crystals ◽  
Carbon Coated ◽  
Diffraction Patterns

Crystallographic studies of rabbit Fc using X-ray diffraction patterns were recently reported. The unit cell constants were reported to be a = 69. 2 A°, b = 73. 1 A°, c = 60. 6 A°, B = 104° 30', space group P21, monoclinic, volume of asymmetric unit V = 148, 000 A°3. The molecular weight of the fragment was determined to be 55, 000 ± 2000 which is in agreement with earlier determinations by other methods.Fc crystals were formed in water or dilute phosphate buffer at neutral pH. The resulting crystal was a flat plate as previously described. Preparations of small crystals were negatively stained by mixing the suspension with equal volumes of 2% silicotungstate at neutral pH. A drop of the mixture was placed on a carbon coated grid and allowed to stand for a few minutes. The excess liquid was removed and the grid was immediately put in the microscope.

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