[sdpd] Li3RuO4

[Armel Le Bail <armel... @fluo.univ-lemans.fr>]

Li3RuO4 is cited a lot in the quite interesting book
"Computer Modelling in Inorganic Crystallography"
edited by C.R.A. Catlow (Academic Press). The
structure was determined ab initio from powder
diffraction data employing a genetic algorithm/energy
minimization techniques. I do not understand exactly
why this structure, which looks simple on figures in the
book, could not be solved by conventional techniques
("had previously eluded structure determination").

No trace of the atomic coordinates in ICSD (1998-2)
for this structure published in 1995 (J. Mater Chem, 5, 1269).

Can somebody send the crystal structure characteristics 
(cell parameters, space group, atomic coordinates) ?

Thanks in advance,


Armel Le Bail - Universite du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/