Composite data type elements

Notice that the individual elements of the composite data type value returned by the openbabel.molf ile mol function must be used. Lor example, (openbabel.molfile mol (molf ile)). cansmiles... 

The spectra of Figure 3 illustrate two further points. All the C Is peaks in Figure 3a are of equal intensity because there are an equal number of each type of C atom present. So, when comparing relative intensities of the same atomic core level to get composition data, we do not need to consider the photoionization cross section. Therefore, Figure 3c immediately reveals that there is four times as much elemental Si present as Si02 in the Si 2p spectrum. The second point is that the chemical shift range is poor compared to the widths of the peaks, especially for the solids in Figures 3b and 3c. Thus, not all chemically inequivalent atoms can be distin-... 

Figure 6 Plots of trace elements (ppm) and ratios of trace elements against wt.% MgO for lavas from the CCOP. The OJP is plotted as a single held except where the A and CG types differ markedly in composition. Data sources are...

The following three sample problems (3.4, 3.5, and 3.6) demonstrate how other types of compositional data are used to determine chemical formulas. In the first problem, the empirical formula is found from data given as grams of each element rather than as moles. 

You can also use the mole concept to calculate the empirical formula of a compound using the percentage composition data for that compound — the percentage by weight of each element in the compound. (The empirical formula indicates the different types of elements in a molecule and the lowest whole-number ratio of each kind of atom in the molecule. See Chapter 7 for details.)... 

Percentage of meteorites seen to fall. Chondrites. Over 90% of meteorites that are observed to fall out of the sky are classified as chondrites, samples that are distinguished from terrestrial rocks in many ways (3). One of the most fundamental is age. Like most meteorites, chondrites have formation ages close to 4.55 Gyr. Elemental composition is also a property that distinguishes chondrites from all other terrestrial and extraterrestrial samples. Chondrites basically have undifferentiated elemental compositions for most nonvolatile elements and match solar abundances except for moderately volatile elements. The most compositionaHy primitive chondrites are members of the type 1 carbonaceous (Cl) class. The analyses of the small number of existing samples of this rare class most closely match estimates of solar compositions (5) and in fact are primary source solar or cosmic abundances data for the elements that cannot be accurately determined by analysis of lines in the solar spectmm (Table 2). Table 2. Solar System Abundances of the Elements ... 

Sources of Industrial Wastes Knowledge of the sources and types of sohd wastes, along with data on the composition and rates of generation, is basic to the design and operation of the functional elements associated with the management of sohd wastes. 

The summary of the bulk chemical compositions (major elements, minor elements, rare earth elements), Sr/ Sr (Farrell et al., 1978 Farrell and Holland, 1983), microscopic observation, and chemistry of spinel of unaltered basalt clarifies the tectonic setting of Kuroko deposits. Based on the geochemical data on the selected basalt samples which suffered very weak alteration, it can be pointed out that the basalt that erupted almost contemporaneously with the Kuroko mineralization was BABB (back-arc basin basalt) with geochemical features of which are intermediate between Island arc tholeiite and N-type MORE. This clearly supports the theory that Kuroko deposits formed at back-arc basin at middle Miocene age. 

Numerous geochemical data (fluid inclusions, stable isotopes, minor elements) on the epithermal vein-type deposits in Japan are available and these data can be used to constrain geochemical environment of ore deposition (gas fugacity, temperature, chemical compositions of ore fluids, etc.) and origin of ore deposits. 

Table 5.10 summarizes the data relevant to a few selected compositions and more common structure types of the phases formed in the binary alloys of Ca, Sr, Ba, Eu and Yb. Considering the alloys given by the elements of the different groups, some remarks can be made on the following points ... 

Compositional variations among all textural types are obvious (Fig. 1) and a comparison of type 1 pyrite in proximal and distal locations is shown in Fig. 2 (Note that data have not been included for elements where a large proportion [>40%] of results were below detection limit). 

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