Structure of russellite (Bi₂WO₆): relationships among atomic displacement, structural identity, lone-pair electron orbital of Bi

Abstract

We examined structure of russellite based on the single crystal X-ray diffraction experiment. Residual density after structure refinemet is prominent on the line running through the Bi sites along the b-axis, and presence of lone-pair electron is not a cause of deformation of BiO₈ polyhedron. Flipping of displacements on O along c-axis cause coherent intergrowth along b-axis, and random insertion of flipped layer cause enhancement on A-centric-forbidden diffraction intensities.