碱金属
化学
单斜晶系
四面体
硼硅酸盐玻璃
结晶学
碱土金属
星团(航天器)
群(周期表)
晶体结构
有机化学
计算机科学
程序设计语言
作者
Zhaohong Miao,Yun Yang,Zhonglei Wei,Zhihua Yang,Sujuan Yu,Shilie Pan
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2019-03-04
卷期号:58 (6): 3937-3943
被引量:12
标识
DOI:10.1021/acs.inorgchem.9b00002
摘要
A new borosilicate, NaCa5BO3(SiO4)2, has been synthesized by a high-temperature solution method, which crystallizes in the centrosymmetric monoclinic space group P21/ c (No. 14), having a tangled three-dimensional (3D) network including isolated [BO3] triangles, isolated [SiO4] tetrahedra, and [CaO n] ( n = 7-9) and [NaO7] polyhedra. According to our surveys, it is the first compound containing both isolated [BO3] triangles and isolated [SiO4] tetrahedra in alkali- and alkaline-earth-metal borosilicates, which enriches the structure chemistry of borosilicates. The UV-vis-NIR diffuse reflectance spectrum shows that NaCa5BO3(SiO4)2 exhibits a wide transparent region which covers the near-IR, visible, and UV windows and displays a short UV cutoff edge at about 240 nm. Additionally, the thermal behavior (TG and DSC) and IR spectrum were also analyzed. For a deeper understanding of the relationships between the structure and properties, an analysis of theoretical calculations by density functional theory was also performed.
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