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Structure Refinement of the High-Temperature Triclinc Form of BiTaO4 From Neutron Powder Diffraction



P DeSanto, Winnie Wong-Ng, Zhi Yang, Jeremy C. Cook, B H. Toby


The structure of the high-temperature form of BiTaO4 has been refined using neutron powder diffraction data. The unit cell is triclinic, P (Sp. Gr. #2) with a = 7.66312(16) , b = 5.58825(11) , c = 7.78659(16) , ? = 90.0573(10)?, ? = 77.0388(9)?, and ? = 86.4617(9)?. The structure consists of puckered sheets of TaO6 octahedra, similar to those found in ?-BiNbO4. However, the TaO6 octahedra are more regular due to a reduced 2nd order Jahn-Teller effect from Ta5+ relative to Nb5+. Bi coordination also differs significantly from that found in ?-BiNbO4. Thermal analysis indicated conversion of orthorhombic to triclinic BiTaO4 at 1051?C; however, this transition is irreversible and may be dependent upon sample history.
Chemistry of Materials


bismuth tantalate, BiTaO^d4, low-temperature co-fired ceramics


DeSanto, P. , Wong-Ng, W. , Yang, Z. , Cook, J. and Toby, B. (2021), Structure Refinement of the High-Temperature Triclinc Form of BiTaO<sub>4</sub> From Neutron Powder Diffraction, Chemistry of Materials (Accessed December 10, 2023)
Created October 12, 2021