Growth and structure analysis of nonstoichiometric single crystalNaxTiO2 (x ∼ 0.5)with the α-NaFeO2-type structure
Growth and structure analysis of nonstoichiometric single crystalNaxTiO2 (x ∼ 0.5)with the α-NaFeO2-type structure
复制标题
α-NaFeO2型结构非化学计量单晶NaxTiO2(x〜0.5)的生长及结构分析
DOI：
10.1016/s0022-4596(05)80056-8
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发表时间：
1990
影响因子：
3.3
通讯作者：
H. Takei
中科院分区：
文献类型：
--
作者：
J. Akimoto;H. Takei
以金属钠和二氧化钛为原料，在高温下制备了具有菱方α-NaFeO_2型结构的Na_xTiO_2（x ≤ 0.5）单晶。通过单晶X射线衍射研究的结构精修证实了Na0.54TiO 2的三角晶格突出的二维性和空间群R <$3m，对于170个独立观察到的反射，最终R = 5.7%（Rw= 5.1%）。该晶体的晶格参数为：Na 0.54TiO 2晶区= 2.9791（6）nm，c= 16.928（3）nm，V = 130.11（5）nm 3。这些晶体在空气气氛中受到强烈的侵蚀，当Na含量降低时，观察到三角晶格中的晶格向轴方向显著收缩。具有化学式Na 0.3TiO 2的化合物的最高度收缩的晶格常数面积= 2.9665（5）<$，c= 15.755（9）<$，和V = 120.07（8）<$3。
Single crystals ofNaxTiO2(x∼ 0.5)with the rhombohedral α-NaFeO2-type structure were successfully prepared from high-temperature solutions of sodium metal and titanium dioxide. The structure refinement by a single crystal X-ray diffraction study confirmed a triangular lattice outstanding two-dimensionality of Na0.54TiO2and the space groupR¯3mwith the finalR= 5.7% (Rw= 5.1%)for 170 independent observed reflections. The lattice parameters of the present Na0.54TiO2crystal area= 2.9791(6)Å,c= 16.928(3)Å, andV= 130.11(5)Å3. These crystals are strongly attacked by air atmosphere, and a remarkable lattice contraction toward thec-axis direction in the trigonal lattice was observed when the Na contents were decreased. The most highly contracted lattice constants for the compound with the chemical formula Na0.3TiO2area= 2.9665(5)Å,c= 15.755(9)Å, andV= 120.07(8)Å3.