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Updated: Aug 1, 2026

Fabrication of Spatially Confined Complex Oxides
Published on: July 1, 2013
The crystal structure of the B-site ordered complex perovskite Sr(Yb0.5Nb0.5)O3
1Department of Materials Science and Engineering, Korea Advanced Institute of Science and Engineering, Taejon, Korea.
Abstract:
The room-temperature crystal structure of the B-site ordered complex perovskite strontium ytterbium niobate, Sr(Yb(0.5)Nb(0.5))O(3) [monoclinic, Z = 2, P2(1)/n (set 2), a = 5.79095 (8), b = 5.82210 (7), c = 8.20358 (12) Å, beta = 90.126 (1) degrees, with final R(wp) = 0.0595, R(Bragg) = 0.0203 for the neutron profile and R(wp) = 0.0832, R(Bragg) = 0.0193 for the X-ray profile, respectively], was determined by X-ray powder diffraction, high-resolution neutron powder diffraction and transmission electron microscopy. This compound shows a slight triclinic distortion from the prototype doubled cubic perovskite cell as a result of an a(-)a(-)c(+)-type oxygen octahedral tilting distortion. It is also shown that the site ordering of the different species of B-site cations, Yb(3+) and Nb(5+), inherently leads to a difference between the volumes of the YbO(6) and NbO(6) octahedra. This volume difference is shown to inevitably inhibit the rigid rotation of octahedra.
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