GSAS : “wall paper bubble effect trying to keep all bonds physically reasonable
One problem trying to keep everything physically reasonable: trying to fix gives a “wall paper bubble effect” - fixed one bond causes 1 to 5 other bonds to become physically unreasonable.
Suggestions on this appreciated (though this could be implying data purity problems)
- Has been stated that the above can be a common problem due to pseudo-symmetry and wrong spacegroup
- Though in this example looks like wrong chemistry and some octahedra really being tetrahedra