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Crystal Structure and Properties of Ba5Fe4^Ti10O31



T Siegrist, Terrell A. Vanderah, A P. Ramirez, Richard G. Geyer, Robert S. Roth


Using single-crystal and powder X-ray diffraction methods, the crystal structure of the new compound Ba5Fe4Ti10O31 was determined and its magnetic and dielectric properties were measured. Ba5Fe4Ti10O31 crystallizes in space group P63/mcm (no. 193) (a=9.9886(2), c=42.226(2) Angstrom}; Z=6; Pcalc=5.147 g/cc) and exhibits and 18-layer close packed structure built from vacancy-free [O,(Ba,O)] layers. Some Ba ions in the structure display anomalous (9+3) coordination with three unusually long Ba-O bond distances. The structure contains octahedral sites occupied by a mixture of Fe3+ and Ti4+, with some preferential ordering, and tetrahedral sites occupied by Feu3+^, one of which shares faces and is half occupied. Computation of bond valence sums about the cations using the observed bond distances reveals significant deviations from the valence sum rule, indicating that the structure of Ba5Fe4Ti10O31 contains residual strain not relieved by distortion. Indexed experimental X-ray powder diffraction data for Ba5Fe4Ti10O31 are given and are in excellent agreement with those calculated from the results of the single-crystal structure determination. The compound exhibits paramagnetism that deviates from Curie-Weiss behavior below 200K. Fits to the data above 200K yield an effective moment consistent with the presence of high-spin Fe3+ (S=5/2), and a negative Weiss constant (nearly equal to}-190 K) indicating cooperative antiferromagnetic interactions. The relative permittivity and dielectric loss tangent of a sintered polycrystalline disk of Ba5Fe4Ti10O31 were measured between 7.1 and 7.7 GHz, yielding values (corrected for theoretical density) of 32 and 3.3(+0.3)x10-3, respectively, that were essentially independent of frequency.
Journal of Alloys and Compounds


Ba5Fe4Ti10031, barium iron titanium oxide, crystal structure, dielectric constant, dielectric loss tangent, magnetic susceptibility, x-ray diffraction


Siegrist, T. , Vanderah, T. , Ramirez, A. , Geyer, R. and Roth, R. (1998), Crystal Structure and Properties of Ba<sub>5</sub>Fe<sub>4</sub>^Ti<sub>10</sub>O<sub>31</sub>, Journal of Alloys and Compounds (Accessed June 5, 2023)
Created February 22, 1998, Updated October 12, 2021