J. Chrosch et al., ANTIPHASE BOUNDARIES AND PHASE-TRANSITIONS IN TITANITE - AN X-RAY-DIFFRACTION STUDY, The American mineralogist, 82(7-8), 1997, pp. 677-681
X-ray diffraction rocking curves of titanite, CaTiSiO5, were measured
using a novel high-resolution diffractometer. Three Bragg reflections
were recorded as a function of temperature and their profiles analyzed
in terms of a Gaussian Bragg peak and a diffuse scattering component
with an overall Lorentzian shape. The temperature dependence of the Ga
ussian intensities of the rocking peaks of superstructure reflections,
hkl with k + l odd, scale with the long-range order parameter as I al
pha Q(2) alpha \T - T-c\(2 beta), where beta = 0.14(1) is the effectiv
e order parameter exponent. The diffuse scattering intensity changes l
ittle with temperature at T < T-c - 20 K. Strong diffuse scattering is
found at T > T-c with centers of their Lorentzian diffraction profile
s shifted by Delta omega approximate to 0.5 degrees with respect to th
e position of the equivalent Bragg peak. A second phase transition at
825 K is confirmed and the possibility of a third transition at simila
r to 1150 K is discussed.