Acta Cryst. (2007). B63, 589-596 [ doi:10.1107/S0108768107029394 ]
Abstract: Single crystals of the title compounds were prepared by solid-solid reaction using BaBr2 flux at 1373 K. The structures of these two new cobaltites were solved and refined. The two compounds are built from a close-packing of [BaO3] and [BaOBr] layers with stacking sequences (c'chhcc')3 and (c'chhhcc')2 for the 18R and 14H structures, respectively, which create Co3O12 trimers or Co4O15 tetramers of face-sharing octahedra connected at their extremities to isolated tetrahedra by corner-sharing. These new materials are strongly related to the 5H-Ba5Co5O14/12H-Ba0.9CoO2.6 and 10H-Ba5Co5ClO13/6H-Ba6Co6ClO16 materials, with the existence of common blocks. In Ba6Co5BrO14 and Ba7Co6BrO17, all the atoms in the vicinity of the [BaOBr] layers are disordered, whereas the rest of the structure is perfectly ordered.
Keywords: cobaltite; barium cobalt oxyhalides; hexagonal perovskite; maximum entropy method.
 |   Structure factor file (CIF format) (55.4 kbytes) |
| Structure factor file (CIF format) (58.2 kbytes) |
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