Figure 4
EHTB calculations for Rb2Mo15S19, showing (a) Mo3—Mo3 COOPs for interatomic distances within the Mo3 triangle (solid line) and between triangles (dotted line) of the Mo6 cluster, (b) COOPs for the intratriangle Mo1—Mo1 (solid line) and Mo2—Mo2 (dotted line) bonds in the Mo9 cluster and (c) COOPs for the intertriangle Mo1—Mo2 bonds of 2.719 (solid line) and 2.785 Å (dotted line). |