T1型C3S超晶胞与伪六方亚晶胞的取向关系

Orientation relations between Tl supercell and pseudohexagonal subcell in C_3S

用固相法合成了T1型硅酸三钙(C_3S),通过X线衍射(XRD)和透射电子显微镜(TEM)对其微结构进行表征。结果表明:T1型C_3S伪六方亚晶胞参数为a=0.707 nm,b=0.705 nm,c=2.513 nm,α=89.69°,β=90.44°,γ=119.61°。T1型C_3S中存在一维调制结构,并在高分辨透射电子显微像(HRTEM)中以波状衬度的形式展现。借助SingleCtystal和MacTempas软件对T1型C_3S进行了选区电子衍射(SAED)和HRTEM像模拟,进一步验证了实验结果,并且确立了T1超晶胞和伪六方亚晶胞之间的取向关系,即:(300)_(T1)、(060)_(T1)和(003)_(T1)分别相当于(115)_H、(122)_H和(114)_H,[100]_(T1)//[221]_H[010]_(T1)//[110]_H以及[001]_(T1)//[411]_H。此外,还确定了T1超晶胞和伪六方亚晶胞之间的转换矩阵。

T1 Ca3SiO5 （C3S） was synthesized by the solid-state method, and its microstructure was charac- terized by X-ray diffraction （XRD） and transmission electron microscopy （TEM）. Results showed that pseudohexagonal subcell parameters were a=0.707nm,b=0.705nm,c=2.513nm,α=89.69°,β=90.44°,γ=119.61. There was one-dimensional commensurately modulated structure in T1 C3S and the modulated structure could be observed in high resolution transmission electron microscopy （HRTEM） image as wavy contrast streaking. The selected area electron diffraction （SAED） patterns and HRTEM images were simulated by SingleCrystal and Mactempas softwares and further verified the aforementioned results. In addition, the orientation relations between T1 supercell and pseudohexagonal subcell were established as follows： （300）T,, （060）T1, and （003）w1 were equivalent to （ll-5）H, （122）H, and （114）., re- spectively, and [100]n∥[221]n、[010]n∥[110]n and [001]n∥[411]n Furthermore, the con-version matrix between T1 supercell and pseudohexagonal subcell was established.