Coordination table

P/. This group is so trivial, having no symmetry apart from the three independent lattice translations, that we shall not present the diagrams or coordinate tables. 

In some cases, an "azimutal correction" was applied by the following method an azimutal plot of the diffracted intensity was obtained using a polar coordinates table. The corrective factor for "C/A" was e/e Q where is the area under the azimutal plot and is the area of the rectangle having the... 

In aluminosilicates each high-spin trivalent transition metal ion has a larger ionic radius than the host Al3+ ion. However, cations such as Cr3+ (-249.9 kJ/mole), V3+(-182.8 kJ/mole) and Mn3+ (-150.8 kJ/mole), which acquire particularly large CFSE s in octahedral coordination (table 2.5), are induced to enter [A106] octahedra, and not five-coordinated [A105] (andalusite, yoderite) or tetrahedral [AlOJ (silhmanite) sites, by the enhanced stabilization bestowed in octahedral crystal fields. Although Co3+ ions have not been positively identified in silicate minerals, the strong enrichment of cobalt in natural and syn-... 

Fortunately, the need to amass coordinates of atoms in reported crystal structures has already been appreciated, and efficient computer-based databases are now available. As a result, it is not necessary to type large sets of numbers into a computer, because they can be derived in computer-ready form from a database. In addition to the ready access to atomic coordinate tables, there are many excellent computer-graphics, geometrical, and statistical programs available for comparisons of structures. In practice, however, it is additionally advantageous to build molecular models either of the ball-and-stick variety or the space-filling variety, if chemical or biochemical insight is required from a comparison of molecular structures observed by crystal structure analyses. 

Each atom in the original crystalline supercell is numbered, its coordinates are listed in a coordinate table and its four covalently bonded neighbors are listed in a neighbor table. Two neighboring atoms are then selected at random, corresponding to atoms 2 and 5 in the example of Fig. 1. Then neighboring atoms, illustrated by atoms 1 and 6 in Fig. 1, are... 

If a pair of trial bond switches is accepted, the coordinate table and the neighbor table are updated. 

After the dipping operation, the back of the plate, which is wet with reagent solution, should be carefully cleaned (Kleenex cloth), especially before it is placed on a hotplate, on a laboratory table, on the coordinate table of a TLC scanner or on documentation equipment. 

In Fig. 6.38(a) are depicted the correlated NHN-hydrogen bond coordinates (Table 6.5) of porphyrin, of TTAA, porphycene, of the pyrazoles discussed in the previous section, as well as the calculated values of the transition states of porphyrin [65] and of its mono-deprotonated anion [81]. Also the data point of the double proton transfer in the cyclic N,N -di-(p-F-phenyl)amidine dimer was added, which is discussed in the next section as it involves a hydrogen bond pre-equilibrium and a coupling to the reorientation ofthe aryl groups. 

In this section, we consider physical properties of the J-block metals (see cross references in Section 19.1 for further details) an extended discussion of properties of the heavier metals is given in Section 22.1. Nearly all the J-block metals are hard, ductile and malleable, with high electrical and thermal conductivities. With the exceptions of Mn, Zn, Cd and Hg, at room temperature, the metals possess one of the typical metal structures (see Table 5.2). The metallic radii (rjnetai) for 12-coordination Table 5.2 and Figure 19.1) are much smaller that those of the -block metals of comparable atomic number Figure 19.1 also illustrates that values of /-metal ... 

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