Single crystals of Sr₂Mg(BO₃)₂(SMBO) were grown by Kyropoulos method. X-ray powder diffraction (XRD)analysis, transmission spectrum, thermal properties, band structure, density of states and charge distribution aswell as Raman spectra of SMBO were described. The as-grown SMBO crystals show wide transparency rangewith UV cut-offbelow 180 nm. A direct band gap of 4.66 eV was obtained from the calculated electronicstructure results. The calculated band structure and density of states results indicated the top valence band isdetermined by O 2p states whereas the low conduction band mainly consists of Sr 5s states. Twelve Ramanpeaks were observed in the experimental spectrum, fewer than the number predicted by the site group analysis.Raman peaks of SMBO were assigned combiningfirst-principle calculation and site group analysis results. Thestrongest peak at 917 cm⁻¹in the experimental spectrum is assigned to symmetric stretching modeA1′(ν1)offree BO₃ units. SMBO is a potential Raman crystal which can be used in deep UV laser frequency conversion.