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Redetermination of terbium scandate, revealing a defect-type perovskite derivative

Authors
Journal
Acta Crystallographica Section E Structure Reports Online
1600-5368
Publisher
International Union of Crystallography
Publication Date
Volume
64
Issue
11
Identifiers
DOI: 10.1107/s1600536808033394
Keywords
  • Inorganic Papers
Disciplines
  • Chemistry
  • Mathematics

Abstract

The crystal structure of terbium(III) scandate(III), with ideal formula TbScO3, has been reported previously on the basis of powder diffraction data [Liferovich & Mitchell (2004 ▶). J. Solid State Chem. 177, 2188–2197]. The current data were obtained from single crystals grown by the Czochralski method and show an improvement in the precision of the geometric parameters. Moreover, inductively coupled plasma optical emission spectrometry studies resulted in a nonstoichiometric composition of the title compound. Site-occupancy refinements based on diffraction data support the idea of a Tb deficiency on the A site (inducing O defects on the O2 position). The crystallochemical formula of the investigated sample thus may be written as A(□0.04Tb0.96)BScO2.94. In the title compound, Tb occupies the eightfold-coordinated sites (site symmetry m) and Sc the centres of corner-sharing [ScO6] octa­hedra (site symmetry ). The mean bond lengths and site distortions fit well into the data of the remaining lanthanoid scandates in the series from DyScO3 to NdScO3. A linear structural evolution with the size of the lanthanoid from DyScO3 to NdScO3 can be predicted.

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