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Figure 1

From: Dressed jeff-1/2 objects in mixed-valence lacunar spinel molybdates

Figure 1

GaMo4X8 cluster model and molecular orbital schemes. (a) GaMo4S8/GaMo4Se8 cluster model. Mo4 tetrahedra are shown in green. Small atomic spheres indicate capped effective core potentials (cECPs). (Ga: blue, Mo: green, S/Se: yellow). (b) Molecular-orbital diagram for the Mo4 cluster in high-temperature, cubic Td point group with spin–orbit coupling (SOC) and low-temperature, rhombohedral C3v symmetry as a result of Jahn–Teller (JT) distortion.

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