Fehlordnung bei Verbindungen MX3 mit Schichtenstruktur II. Analyse der Fehlordnung im Wismuttriiodid

Abstract

Abstract The structure of a crystal of bismut triiodide having stacking faults was analyzed including an evaluation of the intensities along the streaks of diffuse scattering, using the formulae derived earlier. The crystal has the rhombohedral “BiI3 type” stacking sequence with about 95% probability; stacking faults involving a 60° rotation of the BiI3 layers occur with about 2% probability. The average structure, which was refined with the intensities of 107 sharp reflexions (R = 0.069), only gives exact information for the z coordinate of the iodine atoms; other coordinates were obtained from the analysis of the diffuse streaks.