Analysis of a displacive superlattice in nickel arsenide

Abstract

The structural analysis by convergent-beam electron diffraction is described for a weak orthorhombic superlattice observed in both mineral and synthetic samples of NiAs. The three equivalent directions for the commensurate wavevector, q = ⅓(a∗ + b∗), defined a domain structure within the hexagonal subcell. Within a single domain, the symmetry around the c axis was reduced from 6mm to 2mm. The internal structure of higher-order Laue-zone reflections in diffraction patterns recorded at 100 K was used to associate a specific phonon eigenvector or condensed soft mode with the atomic displacement pattern.