Crystallographic phases, effect

Perhaps even more noteworthy is the effect of crystallographic phase. While one phase of a specific composition may readily incorporate from a particular bath composition, another phase of the same composition may incorporate to a much lower extent or not at all. For instance, in the alumina particle system, the alpha phase has been found to readily incorporate from an acidic copper bath while the gamma phase incorporates at less than one tenth the amount of alpha, if at all, as shown in Table 1 [2, 11, 27, 31, 33],... 

Some complexes show a strong interdependence between crystal structure and spin-transition features. In the series of compounds [Fe(Rtz)6](BF4)2 (Rtz = 1-alkyltetrazole) the spin crossover behavior varies with the substituent R and is strongly influenced by cooperative effects. For example, the propyl derivative shows a quantitative spin transition, which is accompanied by a first-order crystallographic phase transition in the methyl and ethyl derivatives the Fe11 complexes occupy two nonequivalent lattice sites, only one of which shows a thermal spin transition.29... 

Adding hydrogen atoms to a protein model usually reduces / 1 and / lfree by the same amount, typically 0.5-1%. More importantly, the inclusion of hydrogens will improve the geometry of the model as the non-bonded interactions (enforced by BUMP restraints, see Chapter 2 and the SHFLX manual for details) between atoms are described more accurately. However, the effect of the inclusion of hydrogens on the crystallographic phases and electron density maps is usually not very pronounced. 

The application of hydrostatic pressure of about 40 kbar induces a crystallographic phase transition in Yb from fee to bcc. Johansen and Mackintosh (1970) studied this effect by calculating the energy bands of Yb under a simulated high... 

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