POWDER DIFFRACTION
Crystal structure of caesium dihydrogen citrate from laboratory X ray powder diffraction data and DFT comparison
... , has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The coordination polyhedra of the nine-coordinate Cs + cations share edges to ...
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Sr–fresnoite determined from synchrotron X ray powder diffraction data
... s. Powder diffraction data were converted to a list of 2 θ and intensity using FIT2D (Hammersley et ...1997). Powder diffraction data in the range ...
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In Quest for Improved Drugs against Diabetes: The Added Value of X-ray Powder Diffraction Methods
... of powder diffraction methods for efficient macromolecular crystal ...the diffraction peaks and the high precision of determining unit-cell parameters allows small variations of the lattices to be ...
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Crystal structures of spinel type Na2MoO4 and Na2WO4 revisited using neutron powder diffraction
... for neutron diffraction analysis, the anhydrous phases were synthesised and an opportunity arose to acquire neutron powder diffraction data. The advantage of using a neutron radiation probe is that ...
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Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X ray powder diffraction data
... X-ray powder diffraction patterns. The powder samples of (I) and (II) were lightly ground in a mortar, loaded into two Mylar foils and fixed onto the sample holder with a mask of suitable internal ...
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Molecular Dynamics and X-ray Powder Diffraction Simulations: Investigation of nano-polycrystalline microstructure at the atomic scale coupling local structure configurations and X-ray powder Diffraction techniques
... In the present work we introduce the concept of Directional - Pair Distribution Function (D-PDF) to represent the finite size and shape of coherently scattering domains (crystallites) and the local atomic displacement in ...
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Eu1 8La0 2BaZnO5: a Rietveld refinement using X ray powder diffraction
... Ba±Cu±O superconductor ceramics. These oxides are not superconductors but nevertheless present interesting struc- tural types. In this work, the synthesis and structural characterization using the Rietveld method applied ...
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Sr–fresnoite determined from synchrotron X ray powder diffraction data
... X-ray powder diffraction data, show that the title compound crystallizes in the space group P4bm and adopts the structure of other fresnoite-type mineral samples with general formula A 2 TiO(Si 2 O 7 ) (A = ...
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Diisopropylammonium chloride hemihydrate, a combined single crystal and powder diffraction study1 1
... Diisopropylammonium chloride hemihydrate, a combined single-crystal and powder diffraction study By the reaction of diisopropylamine dip with hydrochloric acid and crystallization at roo[r] ...
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Pr4Ge3S12: structure determination from high resolution powder diffraction data
... X-ray powder diffraction station at beamline BM16 (ESRF, Grenoble, France; Fitch, 1996) with a ®xed wavelength of = ...with powder was rotated during ...
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Structure Determination from X- Ray Powder Diffraction. By Chua Yong Shen
... calculated powder diffraction profile. W i is the weighting factor for the i th data point. R wp thus considers the intensities point by point instead of the integrated intensities. This reduces the peak ...
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1. Introduction: growth of the Powder Diffraction File over the past 60 years
... distributing powder diffraction data for the identi®cation of crystalline ...X-ray powder diffraction ...calculated powder diffraction patterns based on reported crystal ...
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Bis(μ quinoline N oxide κ2O:O)bis[dichlorocopper(II)], a powder diffraction study
... X-ray powder diffraction patterns were obtained with two X-ray powder instruments, ...DRON-4.07 diffraction system equipped with a standard resolution goniometer GUR-9 and scintillation ...The ...
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Crystal structures of spinel type Na2MoO4and Na2WO4 revisited using neutron powder diffraction
... for neutron diffraction analysis, the anhydrous phases were synthesised and an opportunity arose to acquire neutron powder diffraction data. The advantage of using a neutron radiation probe is that ...
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Anomalous Thermal Expansion of HoCo0 5Cr0 5O3 Probed by X ray Synchrotron Powder Diffraction
... LV synthesized the sample, performed RT and HT structural characterization of the sample and wrote the manuscript. VH and VM contributed to the data evaluation, preparation of figures and tables and manuscript writing. ...
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Calcium chlorite, Ca(ClO2)2, from X ray powder diffraction data
... from X-ray powder diffraction data using the Rietveld method. The compound crystallizes in the orthorhombic space group Ccca (Ccce), with Z = 4. The structure is based on separate layers parallel to the ac ...
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HERBAL TABLET OF CARDIOL VATI AND ITS X RAY POWDER DIFFRACTION (XRPD) ANALYSIS
... X-Ray Powder Diffraction (XRPD) shows the direct information regarding the elements and their physicochemical ...X-Ray powder diffraction by using X-ray diffractometer (Rigaku, Model-Miniflex ...
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Crystal structure of Pigment Red 254 from X ray powder diffraction data
... X-ray powder diffraction data using the simulated annealing method followed by Rietveld refinement because the very low solubility of the pigment in all solvents impedes the growth of single crystals ...
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A Rietveld refinement using neutron powder diffraction data of a fully deuterated topaz, Al2SiO4(OD)2
... Pbnm by Rietveld analysis of constant wavelength neutron powder diffraction data. Two non-equivalent half-occupied deuterium positions were located. Each D atom is character- ized by an irregular ...
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Advances in the modelling of in-situ powder diffraction data
... X-ray diffraction methods, they were applied to materials at non-ambient conditions ...X-ray powder diffraction is routinely used to analyse such ...laboratory powder diffractometers and ...
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