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. 2021 Jul 23;77(Pt 4):605–623. doi: 10.1107/S2052520621006223

Table 8. Occupancy of O3 atoms in MDO3/4 superpositions.

Atom positions are idealized and given with respect to the MDO3/4 cell (c = 4c 0).

Polytype (x,y,0) T (−x,y,0) T (x,y,1\over 4) T (−x,y,1\over 4) T
MDO3 1 0 1 0
MDO4 1 0 0 1
MDO3/4 (1 − x : x) 1 0 1 − x x
MDO3/4 (1 − x : x) refined in I{\overline 4}2d (1+ x)/2 (1 − x)/2 (1 − x)/2 (1 + x)/2