Figure 2
5iqy: (010) and (100) projections of the I1− site arrangement in the unit cell (only sites with occupancies ≥ 0.40): (violet) 120 (= 15 × 8) sites obtained by SAD-SMAR and Fourier recycling (which are also present in the deposited refinement; r.m.s.d. between found and deposited sites is 0.43 Å); (pink) 16 (= 2 × 8) additional sites only present in the deposited refinement (0.53 and 0.40 occupancies) (see Table 5). |