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Long- and short-range order in stuffed titanate pyrochlores

Journal Article · · Journal of Solid State Chemistry
 [1];  [2];  [3];  [1]
  1. Department of Chemistry, Princeton University, Princeton, NJ 08544 (United States)
  2. NIST Center for Neutron Research, NIST, Gaithersburg, MD 20899 (United States)
  3. Department of Materials Science, Delft University of Technology, Rotterdamseweg 137, 2682 AL Delft (Netherlands)
We report a structural study of the stuffed pyrochlore series Ln{sub 2}(Ti{sub 2-x}Ln{sub x})O{sub 7-x/2} (Ln=Ho, Yb; 0{<=}x{<=}0.67). Electron microscopy and Rietveld refinements of neutron powder diffraction data for the x=0.67 end members, Ho{sub 2}TiO{sub 5} and Yb{sub 2}TiO{sub 5}, reveal that small domains ({approx}50 A or less) exist where the Ln and Ti/Ln sublattices are pyrochlore like, while the average structure is fluorite like. Both the Ho and Yb stuffed pyrochlore series for 0.1{<=}x{<=}0.5 are shown to be a composite of long- and short-range-ordered pyrochlore phases. The relative fraction of long-range vs. short-range pyrochlore order decreases with increasing Ln doping. An additional complex structural modulation of the pyrochlore structure is observed in electron diffraction and high-resolution electron microscopy images. - Graphical abstract: The <110> zone axis electron diffraction pattern for Ho{sub 2}TiO{sub 5} reveals the coexistence of long- and short-range pyrochlore ordering. An additional complex modulation of the pyrochlore structure consisting of a seven-fold enlargement of the unit cell in the (662) direction is also observed.
OSTI ID:
21043858
Journal Information:
Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 1 Vol. 181; ISSN 0022-4596; ISSN JSSCBI
Country of Publication:
United States
Language:
English

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