R. Miida et al., LOCALLY MODULATED STRUCTURES OF FLUORITE-RELATED Y2O3-NB2O5 SOLID-SOLUTIONS, Journal of applied crystallography, 30, 1997, pp. 272-279
Modulated structures formed in defect fluorite-type (Y2O3)(1-x)(Nb2O(5
))(x) (0.21 less than or equal to x less than or equal to 0.27) solid
solutions have been investigated by electron diffraction. [1 (1) over
bar 0] diffraction patterns showed a pair of diffuse spots in the [11
(2) over bar] direction at both sides of the 1/21/21/2 reciprocal-latt
ice point. The distance between the diffuse spots decreased from 0.064
to 0.045 Angstrom(-1) with increasing x from 0.21 to 0.27. High-resol
ution electron microscopy images revealed the existence of small domai
ns with an antiphase structure. The two-dimensional antiphase structur
e projected on the (1 (1) over bar 0) plane is described by compositio
nal waves of Y3+/Nb5+ and O2-/vacancy and displacive waves of Y3+ + Nb
5+ and O2- along the [11 (2) over bar] direction. The composition at c
ation sites is expressed by a sinusoidal wave with occupation changes
between Y and 0.58Y + 0.32Nb. The occupation probability of O at anion
sites is also expressed by a sinusoidal wave with occupation changes
between 0.806 and 0.904. Amplitudes of the displacive waves for anions
and cations were determined to be about 0.3 and 0.02 Angstrom. respec
tively.