We determine a model of the ionic interactions in RX3 compounds (where R is
a metal in the rare-earth series from La to Lu and X = Cl, Br or I) by an
analysis of data on the static and dynamic structure of their molecular mon
omers. The potential energy function that we adopt is patterned after earli
er work on Aluminium trichloride [Z. Akdeniz and M. P. Tosi, Z. Naturforsch
. 54a, 180 (1999)], but includes as an essential element the electric polar
izability of the trivalent metal ion to account for a pyramidal shape of RX
3 molecules. From data referring mostly to trihalides of elements at the en
ds and in the middle of the rare-earth series (i. e. LaX3, GdX3 and LuX3),
we propose systematic variations for the effective valence, ionic radius an
d electric polarizability of the metal ions across the series. As a first a
pplication of our results we predict the structure of the Dy(2)CI6 and Dy2B
r6 molecular dimers and demonstrate by comparison with electron diffraction
data that lanthanide-ion polarizability plays a quantitative role also in
this state of tetrahedral-like coordination.