Approximate location of centres of molecules from morphological and unit-cell data

Centres of molecules can sometimes be located approximately from morphology, unit-cell dimensions, number of molecules per unit cell and space group. This is possible when the observed morphology is not in accordance with the morphology predicted from the law of Donnay and Harker applied to the known unit-cell dimensions and space group. Additional information about the centers can be obtained by the periodic bond-chain method.