Abstract
The crystal structure of the compound Pb12Ta9O20F29 has been determined from single crystal X-ray data. The symmetry is tetragonal (space group I4/m) with the unit cell dimensions a = 22.8951(6) A and c = 3.9202(2) A. The structure contains columns of ReO3 structure type, 3 × 3 octahedra wide, separated by “Pb2F2+2” layers. It is thus related to the structures of the layered Bi2O2+2 perovskites, the so-called Aurivillius phases. Most of the fluorine atoms in the structure have been located by means of bond strength calculations.
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