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The crystal structure of Bi 4 O 5 I 2  has been solved from a 3:1 twinned crystal; accurate lattice parameters have been determined by a Rietveld refinement. Bi 4 O 5 I 2  crystallizes with space group  P 2 1  (no. 4),  Z =4,  a =14.944(1),  b =5.6983(3),  c =11.263(1) Å,  β = 99.81(1)°. Its structure is isotypic to the structure of the homologous Bi 4 O 5 Br 2  for which more reliable lattice parameters have been determined by a Rietveld refinement. The effects of replacement of Br by I on the structure are discussed and compared with corresponding effects in the BiOX family (X = Cl, Br, I). A structural reason for the deviation of the twin supercells of the two compounds from orthogonality is discussed.

The crystal structure of Bi 4 O 5 I 2 and its relation to the structure of Bi 4 O 5 Br 2