Neutron diffraction investigation of ordered oxygen vacancies in the defect pyrochlores, Pb2Ru2O6. 5 and PbT1Nb2O6. 5
RA Beyerlein, HS Horowitz, JM Longo… - Journal of Solid State …, 1984 - Elsevier
RA Beyerlein, HS Horowitz, JM Longo, ME Leonowicz, JD Jorgensen, FJ Rotella
Journal of Solid State Chemistry, 1984•ElsevierPowder neutron diffraction has been used to investigate the structure of the defect
pyrochlores Pb 2 Ru 2 O 6.5 and PbT1Nb 2 O 6.5. Both materials show evidence for oxygen
vacancy ordering that is accompanied byA-site cation displacement. The diffraction data for
Pb 2 Ru 2 O 6.5 have been successfully fit in the cubic space groupF¯ 43m. The results
confirm half occupancy of the defect site, demonstrate oxygen vacancy ordering, and show
that each Pb atom is displaced by 0.040 (4) A˚ toward its associated vacancy. The diffraction …
pyrochlores Pb 2 Ru 2 O 6.5 and PbT1Nb 2 O 6.5. Both materials show evidence for oxygen
vacancy ordering that is accompanied byA-site cation displacement. The diffraction data for
Pb 2 Ru 2 O 6.5 have been successfully fit in the cubic space groupF¯ 43m. The results
confirm half occupancy of the defect site, demonstrate oxygen vacancy ordering, and show
that each Pb atom is displaced by 0.040 (4) A˚ toward its associated vacancy. The diffraction …
Abstract
Powder neutron diffraction has been used to investigate the structure of the defect pyrochlores Pb2Ru2O6.5 and PbT1Nb2O6.5. Both materials show evidence for oxygen vacancy ordering that is accompanied byA-site cation displacement. The diffraction data for Pb2Ru2O6.5 have been successfully fit in the cubic space groupF¯43m. The results confirm half occupancy of the defect site, demonstrate oxygen vacancy ordering, and show that each Pb atom is displaced by 0.040(4)A˚toward its associated vacancy. The diffraction data for PbT1Nb2O6.5 have been fit in the tetragonal space groupP¯4m2 using a model that allows ordering of Pb and T1 on theA site in concert with oxygen vacancy ordering. The fitting results specify a stoichiometry PbT10.90Nb2O6.45 for this material; the slight T1 deficiency is probably associated with some T1 loss to the vessel walls during the sealed tube synthesis at 600°C. The Rietveld structural refinement also shows that Pb is displaced slightly away from its associated vacancy while T1 is displaced significantly toward its associated vacancy with resulting T1single bondT1 separations similar to those found in T1 metal. It is suggested that theA-site cation ordering observed in each of these materials is a consequence ofA cation-oxygen bonding rather than the formation ofAsingle bondAbonds through the oxygen vacancy despite the closeAsingle bondAseparations observed. These results are believed to provide the first examples of anion/vacancy ordering in a defect pyrochlore of the typeA2B2O7−y.
Elsevier
以上显示的是最相近的搜索结果。 查看全部搜索结果