X-ray diffraction powder pattern

Lastochkina et al. [216] reported on the preparation of KTaOi.5F3-H20, but the X-ray powder diffraction pattern obtained for the anhydrous product, KTaOi.5F3, does not correspond with the pattern given for K2Ta203F6 in [215]. 

The compounds characterized by X Me = 3.5 have a common formula of M2Me205F2 and crystallize either in a pyrochlore [192] or a veberite [229] type structure. According to X-ray powder diffraction patterns, the structure of Na2Nb205F2 can be regarded as a super-structure of pyrochlore, which is made up of octahedrons connected in layers and arranged in the (111) direction. The layers are linked via octahedrons so that each octahedron in one layer shares three vertexes with an octahedron in the adjacent layer. 

Fig. 43 shows fragments of X-ray powder diffraction patterns of compounds with rock-salt-type structures. 

Fig. 43. Fragments of X-ray powder diffraction patterns of compounds with rock-salt structures that underwent modification to a state of disordered ionic arrangement. 1 - Li3Ta04 2 - LiflbO 3 - Li4Ta04F 4 - Li3Ti03F 5 -LiiFeOiF 6 - LiNiOF (Reflections attributed to LiF are marked by an asterisk).

In all cases, broad diffuse reflections are observed in the high interface distance range of X-ray powder diffraction patterns. The presence of such diffuse reflection is related to a high-order distortion in the crystal structure. The intensity of the diffuse reflections drops, the closer the valencies of the cations contained in the compound are. Such compounds characterizing by similar type of crystal structure also have approximately the same type of IR absorption spectra [261]. Compounds with rock-salt-type structures with disordered ion distributions display a practically continuous absorption in the range of 900-400 cm 1 (see Fig. 44, curves 1 - 4). However, the transition into a tetragonal phase or cubic modification, characterized by the entry of the ions into certain positions in the compound, generates discrete bands in the IR absorption spectra (see Fig. 44, curves 5 - 8). 

Structural Studies. X-ray powder diffraction patterns for I indicate that the crystal structure is isomorphous to Zr2(0H)2-(SOO3 (H20)>. Figure 1 depicts the structure of the zirconium compound (5). The structure of I is identical to that of the zirconium analog except for variations in bond distances and angles which do not affect the overall structure. We have as yet been unable to obtain single crystals of I which are suitable for X-ray diffraction studies. 

The dichlorodibenzo-p-dioxin component was isolated by passing a dioxane solution of the mixture through acetate ion exchange resin to remove phenolics. The eluted product was recrystallized from benzene. The x-ray powder diffraction pattern of the precipitate was identical with that of 2,7-dichlorodibenzo-p-dioxin. Analysis of the mother liquor by GLC showed a singular peak consistent with 2,7-dichlorodibenzo-p-dioxin. The mother liquor was cooled to 5°C and yielded transparent crystals. This material had an x-ray diffraction pattern congruent to a sample of 2,8-dichlorodibenzo-p-dioxin obtained from A. E. Pohland (FDA). The two patterns were quite distinct from each other 14, 15). 

Fig. I. X-ray powder diffraction patterns of Fig. 2. SEM picture of Nao,37W03 xH20 (a) as-prepared and (b) Nao.37WOvxH20.

Fig. 6 displays the X-ray powder diffraction patterns of rhenium oxide. While the as-prepared sample is amorphous to X-ray, the sample soaked in acetone and dried at 100"C clearly exhibits sharp reflections corresponding to Re03. The large difference between the two X-ray patterns suggests that the processing conditions play a key role in the crystallinity and surface characteristics. As shown in the TGA plot of the as-prepared sample (Fig. 7), the weight loss of about 10% below 100 C results from the loss of water. 

Other hand, when an equimolar mixture of 2,5-DSP and l OEt is recrystallized from benzene, yellow crystals, comprising 2,5-DSP and l OEt in a molar ratio of 1 2, deposit. In the DSC curve of this crystal, a single endothermic peak is observed at 166°C, which is different from the melting point of either 2,5-DSP (223°C) or l OEt (156°C). Furthermore, the X-ray powder diffraction pattern of the crystal is quite different from those of the homocrystals 2,5-DSP and l OEt. Upon irradiation the cocrystal 2,5-DSP-l OEt affords a crystalline polymer (77i h = 1.0 dl g in trifluoroacetic acid). The nmr spectrum of the polymer coincides perfectly with that of a 1 2 mixture of poly-2,5-DSP and poly-1 OEt. In the dimer, only 2,5-DSP-dimer and l OEt-dimer are detected by hplc analysis, but the corresponding cross-dimer consisting of 2,5-DSP and l OEt is not detected at all (Hasegawa et al., 1993). These observations by nmr and hplc indicate that the photoproduct obtained from the cocrystal 2,5-DSP-l OEt is not a copolymer but a mixture of poly-2,5-DSP and poly-l OEt in the ratio 1 2. 

X-ray analysis of the various samples that were produced indicated that the system ZnO-ZnClj-HjO includes four crystalline phases, two of which, ZnO and ZnClj. l HjO, are essentially the starting materials. Sorrell also found the 4 1 5 phase, reported by Droit, with an identical X-ray powder diffraction pattern to that reported by Nowacki Silverman (1961, 1962), and a 1 1 2 phase. Since neither the 1 1 2 nor the 4 1 5 phase lost or gained weight on exposure to air at about 50% relative humidity and 22 °C and no changes developed in the X-ray diffraction pattern following this exposure, he concluded that the previously reported 1 1 1 phase cannot be formulated from mixtures of ZnO and aqueous ZnCl,. 

Two types of FeQl) dithiocarbamates are reported. To the first type belong the complexes Fe(R2ethyl compound to be isomorphous with the five-coordinated, dimeric Cu(II) complex (18), so it is to be expected that the fifth Fe-S bond is longer than the other four. Further details about Fe(R2C fc)2 are scarce, as the compounds are air-sensitive and rapidly oxidise to Fe(III) complexes. 

Samples of the poly(dialkylphosphazenes) 1 and 2 displayed X-ray powder diffraction patterns characteristic of crystalline regions in the materials. The peaks in the diffraction pattern of 1 were of lower amplitude and greater angular breadth than those of 2. These data indicate that poly(diethylphosphazene) (2) is highly crystalline while poly(dimethyl-phosphazene) (1) is more amorphous with smaller crystalline zones. This high degree of crystallinity is probably responsible for the insolubility of 2 as noted above. All of the phenyl substituted polymers 3-6 were found to be quite amorphous in the X-ray diffraction studies, a result that is further evidence for an atactic structure of the poly(alkylphenylphosphazenes) 3 and 4 and for a random substitution pattern in the copolymers 5 and 6. 

The presence of triethylenetetramine in the hydrothermal synthesis of open-framework zinc phosphates results in a number of frameworks with one- to three-dimensional structures. The structures include one-dimensional ladders, two-dimensional layer structures, and one structure where the tetramine is bound to the zinc center. The structural type was highly sensitive to the relative concentration of the amine and phosphoric acid.411 Piperazine and 2-methylpiperazine can be used as templating molecules in solvothermal syntheses of zinc phosphates. The crystallization processes of the zinc compounds were investigated by real time in situ measurements of synchrotron X-ray powder diffraction patterns.412... 

In the crystalline state of a substance, the molecules are arranged in a defined unit cell that is repeated in a three-dimensional lattice [1], Since the crystal lattice can act as a diffraction grating for X-rays, the X-ray diffraction pattern of a crystal consists of a number of sharp lines or peaks, often with baseline separation. Figure 1 shows the X-ray powder diffraction pattern of the crystalline and amorphous forms of nedocromil sodium trihydrate. 

The X-ray powder diffraction pattern of miconazole was performed using a Simmons XRD-5000 diffractometer. Figure 1 shows the X-ray powder diffraction pattern of miconazole nitrate, which was obtained on a pure sample of the drug substance. Table 1 shows the values for the scattering angles (26 (°)), the interplanar <7-spacing (A), and the relative intensities (%) observed for the major diffraction peaks of miconazole. 

Table 1. The X-ray powder diffraction pattern of miconazole nitrate...

Salole and Pearson reported the X-ray powder diffraction data for miconazole and econazole [39]. The X-ray powder diffraction patterns and data for the unsolvated samples of miconazole and econazole are reported. 

The X-ray powder diffraction pattern of niclosamide has been measured using a Philips PW-1050 diffractometer, equipped with a single-channel analyzer and using a copper Ka radiation. The pattern obtained is shown in Fig. 1, and the data of scattering angle (degrees 20) and the relative intensities (///max) are found in Table 1. 

The X-ray powder diffraction pattern of (o)-penicillamine was obtained using a Siemens XRD-5000 diffractometer, and the powder pattern is shown in Fig. 1. A summary of the crystallographic data deduced from the pattern of (r>)-penicilla-mine is located in Table 1. 

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