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Structural disorder in severely ground MgCl2 is interpreted on the basis of a Bernoullian model with four parameters, specifying both the size and the statistical sequence of the layers; their choice completely dictates the intrinsic shape of all the X‐ray diffraction lines. The X‐ray powder spectra are reasonably well reproduced over a wide range of Bragg distances (~1.7 < d < ~9 Å) for samples with various degrees of disorder. Practical criteria are given to derive the statistical parameters from the X‐ray spectra. Average crystal thickness as small as 20 Å across the layers is observed. From the usual structure with cubic packing in the Cl atoms, with increasing disorder at first the probabilities of cubic and hexagonal‐like interlayer shifts (Pcub and Phex) tend to become equal; the ultimate degree of disorder also involves ± 60° rotations between adjacent layers, with about the same probability as Pcub and Phex.
Journal of Applied Crystallography – Wiley
Published: Jan 1, 1984
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