PPT Slide
Platon’s Addsym - finding extra symmetry in inorganics and minerals - P1 triclinic starting structure.
- Unpublished Mineral Example -
- “tiny crystal” and “marginal data”
- Default Addsym gives C2/C
- Tighten the addsym values:
- calc ADDSYM SHELX 1 0.2 0.4 0.2
- addsym gives P 2/c and exact fit on Pc
- New triclinic refinement:
- Lower R factor in Shelx
- Addsym now finds P21/c in default mode
- Thus need to be careful!