Synthesis, structure, characterization, and electronic structure calculation of a new molecule-inclusion strontium gallate Sr6(Ga12O24)·Bi2O3

Inorganic oxide crystalline materials have been attractive owing to unusual structural and physical properties including superconductivity , nonlinear optics, photocatalytic degradation, molecular sieve and solar cells. Herein, a new molecule-inclusion strontium gallate , Sr 6 (Ga 12 O 24 )·Bi 2 O 3 , has been obtained by solid-state method. The compound crystallizes in the centrosymmetric space group R 3 ¯ (no. 148), and exhibits a three-dimensional network structure composed by corner-sharing connected GaO 4 tetrahedra and edge-sharing connected SrO 9 polyhedra with Bi atoms located in hexagonal tunnels. Spectral analysis shows that the compound exhibits strong Raman peak. Synthesis, crystal structure, versatile characterizations as well as theory calculations of Sr 6 (Ga 12 O 24 )·Bi 2 O 3 are presented in this work.