Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 10 (October 2013)

inorganic compounds

Acta Cryst. (2013). E69, i69-i70    [ doi:10.1107/S1600536813025142 ]

SBN60, strontium-barium niobate at 100 K

M. Stachowicz, O. Gawryszewska, M. A. Swirkowicz and T. Lukasiewicz

Abstract: The title compound, Sr0.6Ba0.4Nb2O6 (strontium barium niobium oxide), belongs to the group of strontium-barium niobates with varying composition of Sr and Ba. Their general formula can be written as SrxBa1 - xNb2O6. Below the Curie temperature, Tc, these materials indicate ferroelectric properties. The Curie temperature for SBN60 is equal to 346±0.5 K so the structure is in the ferroelectric phase at the measurement temperature of 100 K. Characteristic for this family of compounds is the packing along the z-axis. The NbO6 corner-sharing octa­hedra surround three types of vacancy tunnels with penta­gonal, square and triangular shapes. The Sr2+ ions partially occupy two unique sites, the first one located inside the penta­gon and the second one in the square tunnels. Consequently, they are situated on the mirror plane and the inter­section of two glide planes, respectively. The site inside the penta­gonal tunnel is additionally disordered so that the same position is shared by Ba2+ and Sr2+ ions whereas another part of the Ba2+ ion occupies a different position (relative occupancies 0.43:0.41:0.16). One of the NbV atoms and three of the O2- ions occupy general positions. The second NbV atom is located on the inter­section of the mirror planes. Two remaining O2- ions are located on the same mirror plane. Only the NbV atom and one of the O2- ions which is located on the mirror plane are not disordered. Each of the remaining O2- ions is split between two sites, with relative occupancies of 0.52:0.48 (O2- ions in general positions) and 0.64:0.36 (O2- ion on the mirror plane).

CCDC reference: 960269

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