Abstract A new solid solution, Ba 5.47 Sr 0.53 Al 4 B 14 O 33 , has been synthesized by a high-temperature solution reaction at 770 °C. The compound crystallizes in the space group P 1 with a = 6.86873 (13) Å, b = 6.96992 (13) Å, c = 14.5370 (3) Å, α =88.8075 (15)°, β =86.5809(15)°, γ =83.2613 (14)°, V = 689.84 (2) Å 3 , and Z = 1. It features a three-dimensional (3D) [Al 4 (B 6 O 14 )(B 6 O 13 )(BO 3 ) 2 ] n 12n− framework with intersecting channels occupied by Ba 2+ and (Ba/Sr) 2+ cations. The framework is constructed by 1D [Al 2 (B 6 O 14 )(B 6 O 13 )(BO 3 ) 2 ] n 18n− chains and 1D [Al 2 O 7 ] n 8n− chains interconnected via B–O–Al bridges. The compound melts incongruently at 844 °C. The existence of BO 3 and BO 4 groups in the structure was indicated by vibrational spectroscopy. A high degree of transparency in the visible wavelength range and a band gap of 3.37 eV were revealed by UV–VIS diffuse reflectance spectra. The band structure and bonding properties have been investigated and the insulating nature with a direct energy gap was confirmed. Graphic Abstract The manuscript describes the synthesis, crystal structure, vibrational spectroscopy, UV-vis spectrum, thermal stability, and theoretical electronic structure of a new solid solution Ba 5.47 Sr 0.53 Al 4 B 14 O 33 .

中文翻译：

---

一种新型固溶体 Ba5.47Sr0.53Al4B14O33 的合成与表征

摘要 通过770 ℃高温固溶反应合成了一种新型固溶体Ba 5.47 Sr 0.53 Al 4 B 14 O 33 。该化合物在空间群 P 1 中结晶，a = 6.86873 (13) Å, b = 6.96992 (13) Å, c = 14.5370 (3) Å, α =88.8075 (15)°, β =86.5809(15)°, γ =83.2613 (14)°，V = 689.84 (2) Å 3 ，Z = 1。它具有三维（3D）[Al 4 (B 6 O 14 )(B 6 O 13 )(BO 3 ) 2 ] n 12n- 骨架，具有由Ba 2+ 和(Ba/Sr) 2+ 阳离子占据的交叉通道。该框架由1D [Al 2 (B 6 O 14 )(B 6 O 13 )(BO 3 ) 2 ] n 18n− 链和1D [Al 2 O 7 ] n 8n− 链构成，通过B-O-Al 互连桥梁。该化合物在 844 °C 时会不一致地熔化。振动光谱表明结构中存在BO 3 和BO 4 基团。UV-VIS漫反射光谱揭示了可见波长范围内的高度透明度和3.37 eV的带隙。研究了能带结构和键合特性，并证实了具有直接能隙的绝缘性质。图形摘要 手稿描述了一种新型固溶体 Ba 5.47 Sr 0.53 Al 4 B 14 O 33 的合成、晶体结构、振动光谱、紫外-可见光谱、热稳定性和理论电子结构。