The Chevrel phase In(4.07)Mo(15)S(11.87)Se(7.13) with mixed chalcogenide occupancy

The single-crystal of the title compound, indium pentadecamolybdenum nonadeca(sulfide/selenide), was obtained by solid state reaction with an S/Se mixture. It adopts the structure type of In(3)Mo(15)Se(19) and In(3.7)Mo(15)S(19), which are non-substituted Chevrel phases in the space group P6(3)/m. The Mo, one S/Se and two In sites have point symmetry m.. and two S/Se and one In atoms are in 3.. sites. This compound contains isolated Mo(6) and Mo(9) clusters. The shapes of clusters are octa­hedral and confacial biocta­hedral, respectively, face-capped by chalcogen atoms over each triangle face. The Mo—X bonds (X = S, Se) play an important role for the constitution of the framework. The Mo—X distances of 2.479 (2)–2.6687 (9) Å are within the ranges of average values of Mo—S and Mo—Se distances. The In atoms located on sites with m.. symmetry are partially occupied.