Yamane Hisanori, Funahashi Shiro, Hirosaki Naoto, Takeda Takashi
Research Center for Electronic and Optical Materials National Institute for Materials Science (NIMS) 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan.
Acta Crystallogr E Crystallogr Commun. 2025 Apr 4;81(Pt 5):368-371. doi: 10.1107/S2056989025002956. eCollection 2025 May 1.
Single crystal particles of NaBaZr[SiO] [systematic name: disodium barium zirconium bis-(orthosilicate)] and NaBaHf[SiO] [disodium barium hafnium bis-(orthosilicate)] were extracted from grain-grown polycrystals obtained by heating compacts of binary oxide mixtures at 1473 K. Single crystal X-ray diffraction analysis revealed that these are isostructural orthosilicates with a glaserite-type crystal structure, in which all sites of , , , and in the general formula [(O)] are fully occupied by atoms of different elements. The crystal structures of the title compounds were refined in space group 3 under consideration of a two-component twin model. The SiO tetra-hedra are rotated approximately ±10.2° from the mirror plane of space group 3 around an axis parallel to [001].
从通过在1473 K加热二元氧化物混合物压块得到的晶粒长大的多晶体中提取出了NaBaZr[SiO](系统名称:二钠钡锆双(原硅酸盐))和NaBaHf[SiO](二钠钡铪双(原硅酸盐))的单晶颗粒。单晶X射线衍射分析表明,这些是具有钙芒硝型晶体结构的同构原硅酸盐,其中通式[(O)]中的所有、、、和位点均被不同元素的原子完全占据。在考虑双组分孪晶模型的情况下,在空间群3中对标题化合物的晶体结构进行了精修。SiO四面体围绕平行于[001]的轴从空间群3的镜面旋转了约±10.2°。