Computer modeling and description of nonstoichiometric apatites Cd5-η/2(VO4)3I1-η and Cd5-η/2(PO4)3Br1-η as modified chimney-ladder structures with ladder-ladder and chimney-ladder coupling
Diffraction patterns from apatite-structure compounds Cd5-η/2(TO4)3X1-η with T=P, V and X=Br, I show sheets of diffuse scattering normal to c* at incommensurate l=q (q=1.63 for Cd-V-I apatite and q=1.78 for Cd-P-Br apatite), because the c repeat of the average unit cell is shorter than two X diameters. The equilibrium X..X spacing along c defines the incommensurate periodicity c/q and stoichiometr