X-ray powder diffraction data for selected metal soaps

2002 ◽  
Vol 17 (1) ◽  
pp. 52-60 ◽  
Author(s):  
Marie-Claude Corbeil ◽  
Laurianne Robinet

In order to better characterize metal soaps found in paint films or on metal surfaces, several metal soaps were synthesized and their X-ray powder diffraction patterns measured. Metal soaps were obtained from four different fatty acids found in drying oils, two saturated (palmitic and stearic acids) and two unsaturated (oleic and linoleic acids), and from copper, zinc, and lead, three metals that are typically found in metal alloys and paint systems. X-ray powder diffraction data are reported for the following compounds: palmitic acid, stearic acid, zinc palmitate, zinc stearate, zinc oleate, zinc linoleate, copper palmitate, copper stearate, copper oleate, lead palmitate, lead stearate, and lead oleate. Features that are characteristic of specific compounds were observed. Soaps obtained from different fatty acids with the same metal ion show differences, as do soaps obtained with the same fatty acid but with different metal ions. Differences were observed when X-ray powder diffraction data obtained for stearic acid and zinc stearate were compared to published data for these two compounds (PDF 38-1923 and 5-0079, respectively). In the case of stearic acid, differences could be explained by the fact that the specimen reported previously in PDF 38-1923 was likely contaminated with palmitic acid. In the case of zinc stearate, low angle data were missing from the original pattern PDF 5-0079 and peaks that were reported in other angular regions in fact consisted in more peaks that were not resolved due to broadening.

2013 ◽  
Vol 28 (S2) ◽  
pp. S481-S490
Author(s):  
Oriol Vallcorba ◽  
Anna Crespi ◽  
Jordi Rius ◽  
Carles Miravitlles

The viability of the direct-space strategy TALP (Vallcorba et al., 2012b) to solve crystal structures of molecular compounds from laboratory powder diffraction data is shown. The procedure exploits the accurate metric refined from a ‘Bragg-Brentano’ powder pattern to extract later the intensity data from a second ‘texture-free’ powder pattern with the DAJUST software (Vallcorba et al., 2012a). The experimental setup for collecting this second pattern consists of a circularly collimated X-ray beam and a 2D detector. The sample is placed between two thin Mylar® foils, which reduces or even eliminates preferred orientation. With the combination of the DAJUST and TALP software a preliminary but rigorous structural study of organic compounds can be carried out at the laboratory level. In addition, the time-consuming filling of capillaries with diameters thinner than 0.3mm is avoided.


2003 ◽  
Vol 12 (3) ◽  
pp. 310-314
Author(s):  
Chen Jian-Rong ◽  
Gu Yuan-Xin ◽  
Fan Hai-Fu

2010 ◽  
Vol 25 (3) ◽  
pp. 247-252 ◽  
Author(s):  
F. Laufek ◽  
J. Návrátil

The crystal structure of skutterudite-related phase IrGe1.5Se1.5 has been refined by the Rietveld method from laboratory X-ray powder diffraction data. Refined crystallographic data for IrGe1.5Se1.5 are a=12.0890(2) Å, c=14.8796(3) Å, V=1883.23(6) Å3, space group R3 (No. 148), Z=24, and Dc=8.87 g/cm3. Its crystal structure can be derived from the ideal skutterudite structure (CoAs3), where Se and Ge atoms are ordered in layers perpendicular to the [111] direction of the original skutterudite cell. Weak distortions of the anion and cation sublattices were also observed.


1996 ◽  
Vol 11 (1) ◽  
pp. 26-27 ◽  
Author(s):  
Irena Georgieva ◽  
Ivan Ivanov ◽  
Ognyan Petrov

A new compound—Ba3MnSi2O8 in the system BaO–MnO–SiO2 was synthesized and studied by powder X-ray diffraction. The compound is hexagonal, space group—P6/mmm, a=5.67077 Å, c=7.30529 Å, Z=1, Dx=5.353. The obtained powder X-ray diffractometry (XRD) data were interpreted by the Powder Data Interpretation Package.


Author(s):  
Robert E. Dinnebier ◽  
Hanne Nuss ◽  
Martin Jansen

AbstractThe crystal structures of solvent-free lithium, sodium, rubidium, and cesium squarates have been determined from high resolution synchrotron and X-ray laboratory powder patterns. Crystallographic data at room temperature of Li


1995 ◽  
Vol 10 (4) ◽  
pp. 290-292 ◽  
Author(s):  
Mikio Sakaguchi ◽  
Ichiro Sakamoto ◽  
Ryuichi Akagi ◽  
Hideo Toraya

X-ray powder diffraction data for a new potassium sodium silicate Na1.3K0.7Si2O5are reported. The sample was prepared by calcining a mixture of NaOH, KOH, and sodium silicate (SiO2/Na2O=3.54, moisture content=60%) at 873 K for 2 h. The crystallographic data obtained by using the whole-powder-pattern decomposition method are Na1.3K0.7Si2O5, monoclinic, P21/c, a=4.8426(1) Å,b= 8.6892(2) Å,c= 11.9686(3) Å,β=90.373(2)°,V=503.60(2) Å3,Z=4,Dx= 2.51 g/cm3.


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