Crystal Structure of Ba27Fe16Ti33O117

Published

July 1, 2002

Author(s)

T Siegrist, Terrell A. Vanderah, C Svensson, Robert S. Roth

Abstract

Single-crystal X-ray diffraction studies indicate that the compound Ba₂₇Fe₁₆Ti₃₃O₁₁₇- crystallizes in the rhombohedral space group R-3m, with a hexagonal unit cell a=5.7400(8) , c=127.11(3) ; Z=1.5. The arrangement may be described as a 54-layer (54L) close-packed structure (stacking sequence (cch)₁₈) built from oxygen and Ba,O} layers, with Ti⁴⁺ occupying octahedra and Fe³⁺ occupying both octahedral and tetrahedral interstices.The 54L structure contains hexagonal 6L BaTiO₃-type (cch)₂ units via a 9-fold repeat of the 6L stacking sequence, with iron preferentially occupying layers centered around z=1/6. Ba₂₇Fe₁₆Ti₃₃O₁₁₇ melts incongruently at 1270 C 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.

Citation

Solid State Sciences

Volume

4

Issue

No. 7

Pub Type

Journals

Keywords

Ba₂₇Fe₁₆Ti_dO₁₁₇, barium iron titanates, barium iron titantium oxide

Citation

Siegrist, T. , Vanderah, T. , Svensson, C. and Roth, R. (2002), Crystal Structure of Ba₂₇Fe₁₆Ti₃₃O₁₁₇, Solid State Sciences (Accessed October 16, 2025)