[PDF] Top 20 Pimobendan B from powder diffraction data
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Pimobendan B from powder diffraction data
... 2002); data reduction: FOX; program(s) used to solve structure: FOX; program(s) used to refine structure: FULLPROF (Rodriguez-Carvajal, 1993), CRYSTALS (Betteridge et ... See full document
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Crystal Type Iof Azilsartan Polymorphs: Preparation and Analysis
... white powder. Four types of crystalline powder have been reported with respective melting points (mp) of 122 - 123 (type III), 163 - 164 (type II), 180 - 181 (type IV), and 198˚C - 206˚C (type I) ... See full document
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Crystal structure of trirubidium citrate from laboratory X ray powder diffraction data and DFT comparison
... Crystal data, data collection and structure refinement details are summarized in Table ...2. Diffraction data are displayed in ...protected from the atmosphere by an 8 mm thick Kapton ... See full document
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Crystal structure of dilithium potassium citrate, Li2KC6H5O7 determined from powder diffraction data and DFT calculations
... powder data and optimized by density functional theory (DFT) calculations (see Experimental Section) and is illu- strated in Fig. 1. The root-mean-square Cartesian displace- ment of the non-hydrogen atoms ... See full document
13
Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X ray powder diffraction data
... determined from 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 ... See full document
11
A powder diffraction study of Sr3Al10SiO20
... Diffraction data were obtained on a Rigaku RINT 2500V diffractometer system at 293 K. The Cu K radiation was selected by means of a graphite monochromator. A system of diverging, anti- scattering and ... See full document
6
Reinvestigation of Na3P based on single crystal data
... on powder-diffraction data obtained by film methods (Brauer & Zintl, ...determined from powder diffraction; we also give more precise structural ... See full document
6
The Rietveld Method: Theory and Applications
... the powder diffraction (a powder is an assembly of very small single crystals) method has been used to study crystal ...the powder method was regarded to be inferior particularly for structure ... See full document
24
Crystal structure of Pigment Red 254 from X ray powder diffraction data
... translational and three orientational degrees of freedom corresponds to a total of nine degrees of freedom. The program DASH (David et al., 2006) was used for structure solution. DASH allows the torsion angles to be ... See full document
7
The zoned ore deposits of the Zeehan mineral field
... TABLE 4 Comparison of X-ray powder diffraction data of nickel minerals from Central Balstrup Mine, Zeehan, with data of Berry and Thompson 1962 ... Crean Hill, Sudbury, Ontario..[r] ... See full document
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Crystal structure of pentasodium hydrogen dicitrate from synchrotron X ray powder diffraction data and DFT comparison
... The structure was solved in the sub-cell using DASH 3.3.2 (David et al., 2006), with a citrate anion and two Na + cations as fragments. Two of the 25 simulated annealing runs yielded figures of merit much lower than the ... See full document
13
Crystal structure of anhydrous tripotassium citrate from laboratory X ray powder diffraction data and DFT comparison
... Details of the comprehensive literature search for citrate structures are presented in Rammohan & Kaduk (2016a). A reduced-cell search of the cell of anhydrous tripotassium citrate in the Cambridge Structural ... See full document
9
Crystal structure of dirubidium hydrogen citrate from laboratory X ray powder diffraction data and DFT comparison
... Crystal data, data collection and structure refinement details are summarized in Table 2. Entering 22 peaks (after manually applying a constant 2 shift to approximate specimen displa- cement effects) into ... See full document
9
X-Ray Diffraction Analyses of Titanium Dioxide Nanoparticles
... nanoparticles by cost effective co precipitation method. The synthesized material was investigated by X-Ray diffraction (XRD) analysis. Particle size, Microstrain, Dislocation density, Morphology index and ... See full document
6
Crystal structure of trirubidium citrate monohydrate from laboratory X ray powder diffraction data and DFT comparison
... Details of the comprehensive literature search for citrate structures are presented in Rammohan & Kaduk (2017a). A reduced cell search of the cell of trirubidium citrate mono- hydrate in the Cambridge Structural ... See full document
9
Crystal structure of caesium dihydrogen citrate from laboratory X ray powder diffraction data and DFT comparison
... Larson, A. C. & Von Dreele, R. B. (1994). GSAS. Report LAUR 86- 748. Los Alamos National Laboratory, New Mexico, USA. Loue¨r, D. & Boultif, A. (2007). Z. Kristallogr. Suppl. 2007, 191–196. Macrae, C. F., ... See full document
9
Calcium chlorite, Ca(ClO2)2, from X ray powder diffraction data
... 6.004 (1) A ˚ , b = 12.504 (2) A ˚ , c = 6.010 (1) A ˚ ; Okuda et al., 1990] was chosen as a trial model for the full-profile Rietveld refinement. The Rietveld refinement was performed in two general steps. First, ... See full document
5
Sr–fresnoite determined from synchrotron X ray powder diffraction data
... the data collection time was 30 s. Powder diffraction data were converted to a list of 2 θ and intensity using FIT2D (Hammersley et ...1997). Powder diffraction data in ... See full document
7
Redetermination of the crystal structure of NaTcO4 at 100 and 296 K based on single crystal X ray data
... pertechnate, from single- crystal CCD data recorded both at 296 and 100 K confirms previous studies based on X-ray powder diffraction film data [Schwochau ...neutron powder ... See full document
9
Pr4Ge3S12: structure determination from high resolution powder diffraction data
... The authors thank the ESRF (Grenoble, France) for the opportunity to perform the synchrotron diffraction experi- ments, Dr A. Fitch and Dr E. Doryhee for their invaluable help at beamline BM16, and Dr W. Lasocha ... See full document
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