Synthesis, crystal structure and properties of a new strontium cadmium diborate

A new compound, SrCdB2O5, has been grown by the high temperature solution method from the SrO–Cd–B2O3 system for the first time. It crystallizes in the orthorhombic system, space group Pbca with unit-cell parameters a = 12.010(4) Å, b = 5.795(2) Å, c = 12.677(4) Å, Z = 8, volume = 882.4(5) Å3. Its structure is solved by the direct methods and refined to R1 = 0.0256 and wR2 = 0.0727. The new structure contains an infinite three-dimensional matrix that is built from B2O5 units and CdO6 and SrO9 polyhedra. Spectrum properties, thermal analysis and theoretical calculations on electronic structure of SrCdB2O5 were reported.