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A probable crystallographic path for the thermal cycle of phase transformations, II-I-III-II, in KNO3 single crystals is proposed. It is based on the symmetry of the phases and a least-motion hypothesis that the 'shuffles' of the transformations (so remarkably like martensitic transformations in...
A xenon-filled multiwire proportional chamber with high and uniform photon-detection efficiency has been built and incorporated into a high-speed data-collection system for protein crystallography. This system has been used to collect more than 200 000 reflection intensities from one parent and...
A method is described for economizing the time spent in background counting during a single-crystal data collection with a computer-controlled diffractometer. The percentage time saved for a reflexion depends on the peak-to-background ratio whereas the fraction of peak counting time spent on the...
The molecular refractivities of some corticosteroids C21 are calculated from the crystal refractivities. The latter are obtained from the measured principal refractive indices. The orientations of the principal molecular axes with regard to the steroid skeleton are given and the magnetic and...
A probabilistic theory of special quartets is described which is able to fix the sign of reflexions with even indices. The method proves suitable for removing a large percentage of the 1 formula failures.
A simpler derivation of the equations of Schomaker & Trueblood Acta Cryst. (1968), B24, 63-76 is given. It is shown that the ready interpretation of the meaningfulness of refinable parameters is best achieved by selecting the centre of action as origin and describing the motion with parameters...
The pairwise potential method was applied to the study of molecular reorientations in organic crystals. Several benzene and naphthalene derivatives were considered, along with some simple heterocycles and a few more complex compounds. The results of the calculations have been matched, where...
It is assumed that a crystal structure in P1 is fixed and that the random variables (vectors) h, k, l, m, subject to h + k + I + m = 0, are uniformly and independently distributed in reciprocal space. Then the seven structure factors Eh, Ek, El, Em, Eh + k, Ek + l, El + h, as functions of the...
Often a strong texture is found when metal thin films are evaporated in vacuum on amorphous substrates: the hkl dense planes have an average orientation parallel to the substrate. Then, in the hkl X-ray diffraction pattern, secondary fringes are observed on both sides of the Bragg central peak,...
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