Siegrist, T. (Sweden-Lucent) Svensson, C. (Bell Labs) Roth, R. S. Vanderah, T. A. (CERAMICS DIVISION - 852)
Crystal Structure of Ba^d27^Fe^d16^Ti^d33^O^d117^
Solid State Sciences - July 01, 2002

Single-crystal X-ray diffraction studies indicate that the compound Ba^d27^Fe^d16^Ti^d33^O^d117^- crystallizes in the rhombohedral space group R-3m, with a hexagonal unit cell a=5.7400(8) Å, c=127.11(3) Å; Z=1.5. The arrangement may be described as a 54-layer (54L) close-packed structure (stacking sequence (cch)^d18^) built from oxygen and {Ba,O} layers, with Ti^u4+^ occupying octahedra and Fe^u3+^ occupying both octahedral and tetrahedral interstices. The 54L structure contains hexagonal 6L BaTiO^d3^-type (cch)^d2^ units via a 9-fold repeat of the 6L stacking sequence, with iron preferentially occupying layers centered around z=1/6. Ba^d27^Fe^d16^Ti^d33^O^d117^ melts incongruently at 1270ºC and is difficult to purify in polycrystalline form, although crystals are easily obtained from partial melts. The new compound is a member of a family of ternary Ba-Fe-Ti-O phases that may be considered as dielectric-magnetic hybrids of barium-polytitanate and barium-hexaferrite crystal chemistries.
Keywords: Ba^d27^Fe^d16^Ti^dd^O^d117^ , barium iron titanates , barium iron titantium oxide
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