|Symmetry||Frequencies (cm-1)||Without Ca||With Ca|
*All the available animations are in .GIF format
**For modes with degenerate movements, just one direction was considered to perform the animation
***Because calcium atoms do not participate in all the movements, they were not considered in some animations
The primitive cell of katoite has 116 atoms, so a representative fragment of the crystal was used to prepare the animations of the associated movement with each wavenumber. This fragment consists of a central octahedron surrounded by six of the eight closest octahedra. The two excluded groups were originally situated in opposite vertices of the cube (click to see explanation). The Ca atoms were excluded for a better appreciation of the system in modes which their participation is no significant. The manipulation of the figures was done using Moldraw, and the animations were obtained using POVRAY and Animation Shop3.