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The complex oxoindate Cs 9 InO 4 , described by the electron counting (Cs + ) 8 Cs—[(In 3+ )(O 2– ) 4 ] + 2e − , consists of InO 4  tetrahedra and Cs(Cs) 16  clusters. In each Cs(Cs) 16  cluster a Cs atom is located at the center of the (Cs) 16  cage, and the Cs 9  sublattice of Cs 9 InO 4  is obtained from the face- and edge-sharing of the Cs(Cs) 16  clusters. To examine the charge density distribution among the Cs atoms in each Cs(Cs) 16  cluster, density functional calculations were carried out for Cs 9 InO 4 , and the results were analyzed. Our analysis indicates that, to a first approximation, the Cs atom located at the center of each Cs(Cs) 16  is best described as Cs –  anion.

Density functional analysis of the electronic structure of Cs 9 InO 4 :Evidence for the presence of a Cs – anion