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

Abstract

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, Sr6(Ga12O24)·Bi2O3, has been obtained by solid-state method. The compound crystallizes in the centrosymmetric space group R3¯(no. 148), and exhibits a three-dimensional network structure composed by corner-sharing connected GaO4 tetrahedra and edge-sharing connected SrO9 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 Sr6(Ga12O24)·Bi2O3 are presented in this work.