Figure 3
Space-group assignment and packing arrangement of the two hexameric layers in the unit cell. (a) An initial assignment of space group P3, with one hexameric layer having its center at the origin and the other layer having its center at (1/3, 2/3, 1/2), leading to an essentially correct structure but with incompletely assigned symmetry. The four crystallographically independent subunits based on this space-group assignment are labeled a–d. (b) The correct assignment of P63 symmetry after shifting the initial structure to a different origin. Note that the 63 screw axis contains within it a pure threefold axis and a 21 screw axis of symmetry. Only two crystallographically independent subunits (a and b) are present. Symmetry elements are illustrated with their conventional symbols. |