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Acta Cryst. (2008). E64, i77 [ doi:10.1107/S1600536808034168 ]
Abstract: Neodymium strontium manganese oxide with ideal composition Nd0.5Sr0.5MnO3 was reported to have two different structure models. In one model, the x coordinate of an O atom is at x > 1/2, while in the other model the x-coordinate of this atom is at x < 1/2. Difference-density maps around this O atom obtained from the current redetermination clearly show that the structure with the O atom at x < 1/2 result in a more satisfactory model than that with x > 1/2. The title compound with a refined composition of Nd0.53 (5)Sr0.47 (5)MnO3 is a distorted perovskite-type structure with site symmetries 2mm for the statistically occupied (Nd, Sr) site and for the above-mentioned O atom, .2/m. for the Mn atom and ..2 for a second O-atom site. In contrast to previous studies, the displacement factors for all atoms were refined anisotropically.
Online 22 October 2008
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