Structural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)

The structures of 28 compounds in the two series Ba2LnSbO6 and Ba2LnNbO6 have been examined using synchrotron X-ray and in selected cases neutron powder diffraction at, below and above ambient temperature. The antimonate series is found to undergo a sequence of phase transitions from monoclinic to r...

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Main Authors: Saines, P, Kennedy, B, Elcombe, M
Format: Journal article
Language:English
Published: 2007
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author Saines, P
Kennedy, B
Elcombe, M
author_facet Saines, P
Kennedy, B
Elcombe, M
author_sort Saines, P
collection OXFORD
description The structures of 28 compounds in the two series Ba2LnSbO6 and Ba2LnNbO6 have been examined using synchrotron X-ray and in selected cases neutron powder diffraction at, below and above ambient temperature. The antimonate series is found to undergo a sequence of phase transitions from monoclinic to rhombohedral to cubic symmetry with both decreasing ionic radii of the lanthanides and increasing temperature. Compounds in the series Ba2LnNbO6, on the other hand, feature an intermediate tetragonal structure instead of the rhombohedral structure exhibited by the antimonates. This difference in symmetry is thought to be caused by π-bonding in the niobates that is absent in the antimonates. The bonding environments of the cations in these compounds have also been examined with overbonding of the lanthanide and niobium cations being caused by the unusually large B-site cations. © 2006 Elsevier Inc. All rights reserved.
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spelling oxford-uuid:1bf0facf-2b86-4526-bb82-f00521e93f432022-03-26T11:03:08ZStructural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:1bf0facf-2b86-4526-bb82-f00521e93f43EnglishSymplectic Elements at Oxford2007Saines, PKennedy, BElcombe, MThe structures of 28 compounds in the two series Ba2LnSbO6 and Ba2LnNbO6 have been examined using synchrotron X-ray and in selected cases neutron powder diffraction at, below and above ambient temperature. The antimonate series is found to undergo a sequence of phase transitions from monoclinic to rhombohedral to cubic symmetry with both decreasing ionic radii of the lanthanides and increasing temperature. Compounds in the series Ba2LnNbO6, on the other hand, feature an intermediate tetragonal structure instead of the rhombohedral structure exhibited by the antimonates. This difference in symmetry is thought to be caused by π-bonding in the niobates that is absent in the antimonates. The bonding environments of the cations in these compounds have also been examined with overbonding of the lanthanide and niobium cations being caused by the unusually large B-site cations. © 2006 Elsevier Inc. All rights reserved.
spellingShingle Saines, P
Kennedy, B
Elcombe, M
Structural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)
title Structural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)
title_full Structural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)
title_fullStr Structural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)
title_full_unstemmed Structural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)
title_short Structural phase transitions and crystal chemistry of the series Ba2LnB′O6 (Ln=lanthanide and B′=Nb5+ or Sb5+)
title_sort structural phase transitions and crystal chemistry of the series ba2lnb o6 ln lanthanide and b nb5 or sb5
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AT kennedyb structuralphasetransitionsandcrystalchemistryoftheseriesba2lnbo6lnlanthanideandbnb5orsb5
AT elcombem structuralphasetransitionsandcrystalchemistryoftheseriesba2lnbo6lnlanthanideandbnb5orsb5