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Redetermination of terbium scandate, revealing a defect-type perovskite derivative
The crystal structure of terbium(III) scandate(III), with ideal formula TbScO(3), 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 Czochrals...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959553/ https://www.ncbi.nlm.nih.gov/pubmed/21580815 http://dx.doi.org/10.1107/S1600536808033394 |
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author | Veličkov, Boža Kahlenberg, Volker Bertram, Rainer Uecker, Reinhard |
author_facet | Veličkov, Boža Kahlenberg, Volker Bertram, Rainer Uecker, Reinhard |
author_sort | Veličkov, Boža |
collection | PubMed |
description | The crystal structure of terbium(III) scandate(III), with ideal formula TbScO(3), 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)(□(0.04)Tb(0.96))(B)ScO(2.94). In the title compound, Tb occupies the eightfold-coordinated sites (site symmetry m) and Sc the centres of corner-sharing [ScO(6)] octahedra (site symmetry [Image: see text]). The mean bond lengths and site distortions fit well into the data of the remaining lanthanoid scandates in the series from DyScO(3) to NdScO(3). A linear structural evolution with the size of the lanthanoid from DyScO(3) to NdScO(3) can be predicted. |
format | Text |
id | pubmed-2959553 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29595532010-12-30 Redetermination of terbium scandate, revealing a defect-type perovskite derivative Veličkov, Boža Kahlenberg, Volker Bertram, Rainer Uecker, Reinhard Acta Crystallogr Sect E Struct Rep Online Inorganic Papers The crystal structure of terbium(III) scandate(III), with ideal formula TbScO(3), 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)(□(0.04)Tb(0.96))(B)ScO(2.94). In the title compound, Tb occupies the eightfold-coordinated sites (site symmetry m) and Sc the centres of corner-sharing [ScO(6)] octahedra (site symmetry [Image: see text]). The mean bond lengths and site distortions fit well into the data of the remaining lanthanoid scandates in the series from DyScO(3) to NdScO(3). A linear structural evolution with the size of the lanthanoid from DyScO(3) to NdScO(3) can be predicted. International Union of Crystallography 2008-10-31 /pmc/articles/PMC2959553/ /pubmed/21580815 http://dx.doi.org/10.1107/S1600536808033394 Text en © Veličkov et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Inorganic Papers Veličkov, Boža Kahlenberg, Volker Bertram, Rainer Uecker, Reinhard Redetermination of terbium scandate, revealing a defect-type perovskite derivative |
title | Redetermination of terbium scandate, revealing a defect-type perovskite derivative |
title_full | Redetermination of terbium scandate, revealing a defect-type perovskite derivative |
title_fullStr | Redetermination of terbium scandate, revealing a defect-type perovskite derivative |
title_full_unstemmed | Redetermination of terbium scandate, revealing a defect-type perovskite derivative |
title_short | Redetermination of terbium scandate, revealing a defect-type perovskite derivative |
title_sort | redetermination of terbium scandate, revealing a defect-type perovskite derivative |
topic | Inorganic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959553/ https://www.ncbi.nlm.nih.gov/pubmed/21580815 http://dx.doi.org/10.1107/S1600536808033394 |
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