## submitted Tue Aug 24 10:25:48 EDT 2004
COMMENT:
Although the B11Mg5Ru13.oP62 is reported stable, the realization
in which the fractional occupancies are resolved within 3A period
is according to our calculation unfavourable. The stable version of
this structure is 6A superstructure "B2H2x2.L1". In fact, the
relaxation displacements are large for this (3A) model, and
the (averaged) atomic positions obtained from the 6A B2H2x2.L1 model
match them closer. See our optimal model for this structure:
B11Mg5Ru13.oP116.
FIGURE:
