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The crystal structure of the oxotellurate(IV) chloride KCa 3 Te 5 O 12 Cl 3  is built up of [KTe 5 O 12 ] 3−  layers sandwiched by layers of Cl −  and Ca 2+  ions. The structure can be considered as a twelvefold superstructure with occupational modulation of the K/Te positions. The electron lone-pairs of the Te(IV) atoms are directed towards the free space of the chloride layers. KCa 3 Te 5 O 12 Cl 3  can be described as a category III order-disorder (OD) structure in terms of polar layers of one kind. The crystals under investigation are built up of the two polytypes of a maximum degree of order (MDO) with isomorphic  C 2/ c  and  I 2/ a  symmetry, both of which appear in two orientations. Two data reduction approaches, using either a reciprocal superlattice or three independent domains, were performed and the resulting refinements are comparatively discussed.

The allotwinning of KCa 3 Te 5 O 12 Cl 3 : an OD interpretation