SCHEDULED MAINTENANCE
Synthesis and structure of Ba2InO3X (X = F, Cl, Br) and Ba2ScO3F; oxide/halide ordering in K2NiF4-type structures
Abstract
The structures of three indium and one scandium complex layered oxide halides have been determined from time-of-flight powder neutron diffraction data. The indium phases Ba2InO3F, Ba2InO3Cl and Ba2InO3Br all crystallize in the space group P4/nmm and exhibit complete oxide halide segregation, producing alternating sections of halide [BaF] and oxide [BaO] ions separating infinite InO2 layers. However, Ba2ScO3F shows only partial oxide/fluoride ordering with the fluoride ions occupying the two apical sites on scandium equally with oxide ions, in the space group I4/mwm. 19F MAS NMR data have been collected from Ba2InO3F and Ba2ScO3F, and confirm the structural analysis in terms of a single type of fluoride ion site in each material.
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