Structure and magnetic properties of a new anion-deficient perovskite Pb2Ba2BiFe4ScO13 with crystallographic shear structure

• Pb2Ba2BiFe4ScO13 was obtained by solid state synthesis.
• Its structure was refined from combination of XPD and TEM.
• It is a new member of the perovskite-related homologous series AnBnO3n−2 with n = 5.
• Pb2Ba2BiFe4ScO13 is antiferromagnetically ordered below TN ≈350 K.

Pb2Ba2BiFe4ScO13, a new n = 5 member of the oxygen-deficient perovskite-based AnBnO3n−2 homologous series, was synthesized using a solid-state method. The crystal structure of Pb2Ba2BiFe4ScO13 was investigated by a combination of synchrotron X-ray powder diffraction, electron diffraction, high-angle annular dark-field scanning transmission electron microscopy and Mössbauer spectroscopy. At 900 K, it crystallizes in the Ammm space group with the unit cell parameters a = 5.8459(1) Å, b = 4.0426(1) Å, and c = 27.3435(1) Å. In the Pb2Ba2BiFe4ScO13 structure, quasi-two-dimensional perovskite blocks are periodically interleaved with ½[1 1 0] (1¯ 0 1)p crystallographic shear (CS) planes. At the CS planes, the corner-sharing FeO6 octahedra are transformed into chains of edge-sharing FeO5 distorted tetragonal pyramids. B-positions of the perovskite blocks between the CS planes are jointly occupied by Fe3+ and Sc3+. The chains of the FeO5 pyramids and (Fe,Sc)O6 octahedra delimit six-sided tunnels that are occupied by double columns of cations with a lone electron pair (Pb2+). The remaining A-cations (Bi3+, Ba2+) occupy positions in the perovskite block. According to the magnetic susceptibility measurements, Pb2Ba2BiFe4ScO13 is antiferromagnetically ordered below TN ≈350 K.

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