M. Kunz et al., STRUCTURAL INVESTIGATIONS ALONG THE JOIN CATIOSIO4-CASNOSIO4, Schweizerische Mineralogische und Petrographische Mitteilungen, 77(1), 1997, pp. 1-11
High resolution synchrotron X-ray data were used to structurally chara
cterize a series of compounds along the solid-solution titanite (HT-ph
ase)-malayaite. The refinements reveal a high sensitivity of the cryst
al symmetry on the amount of octahedral Sn present. This suggests a we
ak interaction between dipoles formed through Ti out-of-centre distort
ion. The structural evolution along the solid-solution also allows the
identification of structural strain, which is caused by the geometric
ally competing arrangement of corner sharing octahedral chains occupie
d by Ti and Sn on one hand and edge sharing polyhedral chains occupied
by Ca on the other hand. This strain is expressed in a systematic var
iation of structural parameters, such as Ti-O-Ti angles, Ca displaceme
nt parameters and Ca-O bond length distortion, as a function of octahe
dral occupation.