Structural characterization of polycrystalline (Nd,Al)-substituted zirconolite

2002 ◽  
Vol 757 ◽  
Author(s):  
Pascal Loiseau ◽  
Daniel Caurant ◽  
Noël Baffier ◽  
Catherine Fillet
Keyword(s):  
Structural Characterization ◽  
Single Phase ◽  
Rietveld Method ◽  
Structure Refinement ◽  
Significant Proportion ◽  
Optical Absorption Spectroscopy ◽  
Minor Actinides ◽  
X Ray

ABSTRACTZirconolite (formally CaZrTi2O7) is a crystalline phase particularly well adapted to actinide immobilization because of its excellent long-term behavior and its good containment capacity. Most of the French studies on zirconolite deal with minor actinides that are mainly responsible for the long-term radiotoxicity of high-level radioactive wastes. For these kind of studies, trivalent minor actinides (Am3+, Cm3+) can be simulated by a lanthanide ion with an ionic radius similar to that of Nd3+. Thus, several materials having the composition Ca1-xNdxZrTi2-xAlxO7 (0 ≤ x ≤ 0.8) were prepared by solid state reaction. These polycristalline materials were first characterized by X-ray diffraction and scanning electron microscopy associated with energy dispersive X-ray analysis in order to determine the nature of the crystalline phases formed. For low neodymium content (x ≤ 0.1), electron spin resonance of Nd3+ ions revealed that a significant proportion of these ions entered into trace amounts of perovskite. Nevertheless, all Ca1-xNdxZrTi2-xAlxO7 samples with x ≤ 0.6 can be considered as almost single phase zirconolite-2M. Structure refinement by the Rietveld method of Ca0.7Nd0.3ZrTi1.7Al0.3O7 showed that Nd3+ and Al3+ ions mainly entered respectively into the calcium site and into the split five-fold coordinated titanium site. Structural characterization of Ca0.3Nd0.7ZrTi1.3Al0.7O7 and Ca0.2Nd0.8ZrTi1.2Al0.8O7 samples confirmed that these compositions led to the crystallization of almost single phase zirconolite-3O, an orthorhombic polytype of zirconolite, whose structure was also refined by the Rietveld method. Results concerning neodymium location in Ca0.7Nd0.3ZrTi1.7Al0.3O7 and Ca0.3Nd0.7ZrTi1.3Al0.7O7 were qualitatively confirmed by optical absorption spectroscopy at low temperature.

Synthesis and X-ray powder diffraction study of the elpasolite Cs2NaCeCl6

1995 ◽  
Vol 10 (4) ◽  
pp. 241-242 ◽  
Author(s):  
R. Acevedo ◽  
V. Poblete
Keyword(s):  
Diffraction Study ◽  
Powder Diffraction ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

The synthesis at 850 °C and the structural characterization of the elpasolite structure compound Cs2NaCeCl6 is reported space group Fm3m, a = 10.943(2) Å, V = 1310.4 (Å)3, Z = 4, M = 641.64, Dx = 3.252, and Dexp = 3.21. Powder diffraction data from a Rietveld structure refinement, are reported.

scholarly journals Structural Characterization of Albendazole with the Use of X-Ray Diffraction

2014 ◽  
Vol 70 (a1) ◽  
pp. C1808-C1808 ◽  
Author(s):  
Kelly Lixandrão ◽  
Fabio Ferreira
Keyword(s):  
Crystal Structures ◽  
Structural Characterization ◽  
Rietveld Method ◽  
Low Cost ◽  
Chemical Properties ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Physical Chemical

Drugs may present polycrystalline polymorphism (property of a substance to crystallize in more than one form or crystal structure). These variations can cause changes in physical-chemical properties and differences between the polymorphs as shape, solubility, density, melting range, among other consequences, leading to formulations that are not effective, although the chemical formula is the same [1]. Drugs such as albendazole (C12H15N3O2S, which is one of the most effective anthelmintics, [2] showing activity against nematodes, trematodes and cestodes, reasons that added to its safety and low cost have made it a drug widely used in human medicine and veterinary), has more than two different crystal structures, and only two of them are known. The X-ray powder diffraction is a powerful technique used in the structural characterization of drugs, and coupled with the Rietveld method [4], the quantification of the active phases, through the knowledge of their crystal structures, becomes possible. In this paper we discuss results on the differences between the polymorphs of albendazole, with data obtained by means of X-ray diffraction, thermal analysis (differential scanning calorimetry and thermogravimetric analysis), Fourier transform infrared spectroscopy and scanning electron microscopy.

New horizons for the structural characterization of stainless steel slags by X-ray powder diffraction

2007 ◽  
Vol 2007 (suppl_26) ◽  
pp. 61-66 ◽  
Author(s):  
B. Peplinski ◽  
B. Adamczyk ◽  
G. Kley ◽  
K. Adam ◽  
F. Emmerling ◽  
...  
Keyword(s):  
Stainless Steel ◽  
Powder Diffraction ◽  
Structural Characterization ◽  
X Ray ◽  
New Horizons

scholarly journals Structural Characterization of Heterodinuclear ZnII-LnIII Complexes (Ln = Pr, Nd) with a Ring-Contracted H2valdien-Derived Schiff Base Ligand

2021 ◽  
Author(s):  
Shabana Noor ◽  
Richard Goddard ◽  
Fehmeeda Khatoon ◽  
Sarvendra Kumar ◽  
Rüdiger W. Seidel
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Structural Characterization ◽  
Schiff Base Ligand ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Imidazoline Ring

AbstractSynthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes with the formula [ZnLn(HL)(µ-OAc)(NO3)2(H2O)x(MeOH)1-x]NO3 · n H2O · n MeOH [Ln = Pr (1), Nd (2)] and the crystal and molecular structure of [ZnNd(HL)(µ-OAc)(NO3)2(H2O)] [ZnNd(HL)(OAc)(NO3)2(H2O)](NO3)2 · n H2O · n MeOH (3) are reported. The asymmetrical compartmental ligand (E)-2-(1-(2-((2-hydroxy-3-methoxybenzylidene)amino)-ethyl)imidazolidin-2-yl)-6-methoxyphenol (H2L) is formed from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation, resulting in a peripheral imidazoline ring. The structures of 1–3 were revealed by X-ray crystallography. The smaller ZnII ion occupies the inner N2O2 compartment of the ligand, whereas the larger and more oxophilic LnIII ions are found in the outer O2O2’ site. Graphic Abstract Synthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes (Ln = Pr, Nd) bearing an asymmetrical compartmental ligand formed in situ from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation are reported.

The Growth and Characterization of Germanium-Carbon Alloy Thin Films

1992 ◽  
Vol 270 ◽  
Author(s):  
Haojie Yuan ◽  
R. Stanley Williams
Keyword(s):  
Thin Films ◽  
Photoelectron Spectroscopy ◽  
Vacuum Chamber ◽  
Optical Band Gap ◽  
High Vacuum ◽  
Optical Absorption Spectroscopy ◽  
Alloy Thin Film ◽  
New Materials ◽  
X Ray

ABSTRACTThin films of pure germanium-carbon alloys (GexC1−x with x ≈ 0.0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) have been grown on Si(100) and A12O3 (0001) substrates by pulsed laser ablation in a high vacuum chamber. The films were analyzed by x-ray θ-2θ diffraction (XRD), x-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), conductivity measurements and optical absorption spectroscopy. The analyses of these new materials showed that films of all compositions were amorphous, free of contamination and uniform in composition. By changing the film composition, the optical band gap of these semiconducting films was varied from 0.00eV to 0.85eV for x = 0.0 to 1.0 respectively. According to the AES results, the carbon atoms in the Ge-C alloy thin film samples has a bonding configuration that is a mixture of sp2 and sp3 hybridizations.

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