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 as well as Raman spectra of SMBO were described. The as-grown SMBO crystals show wide transparency range with UV cut-off below 180 nm. A direct band gap of 4.66 eV was obtained from the calculated electronic structure results. The calculated band structure and density of states results indicated the top valence band is determined by O 2p states whereas the low conduction band mainly consists of Sr 5s states. Twelve Raman peaks were observed in the experimental spectrum, fewer than the number predicted by the site group analysis. Raman peaks of SMBO were assigned combining first-principle calculation and site group analysis results. The strongest peak at 917 cm⁻¹ in the experimental spectrum is assigned to symmetric stretching mode A₁′(ν₁) of free BO₃ units. SMBO is a potential Raman crystal which can be used in deep UV laser frequency conversion.

通过Kyropoulos方法生长Sr ₂ Mg（BO ₃）₂（SMBO）的单晶。描述了X射线粉末衍射（XRD）分析，透射光谱，热性能，能带结构，态密度和电荷分布以及SMBO的拉曼光谱。成长中的SMBO晶体显示了宽的透明度范围，UV截止 波长低于180 nm。直接带隙为4.66 eV从计算出的电子结构结果获得。计算出的能带结构和态密度结果表明，最高价带由O 2p态决定，而低导带主要由Sr 5s态组成。在实验光谱中观察到十二个拉曼峰，少于站点组分析预测的数量。结合第一性原理计算和位点群分析结果，分配了SMBO的拉曼峰。在917最强峰值 厘米^-1在实验光谱被分配给对称伸缩模式阿₁ '（ν ₁的自由BO）_3个单元。SMBO是潜在的拉曼晶体，可用于深紫外激光频率转换。