Temperature dependence of structural parameters in oxide-ion-conducting Nd9.33(SiO4)6O2: single crystal X-ray studies from 295 to 900 K
Temperature dependence of structural parameters in oxide-ion-conducting Nd9.33(SiO4)6O2: single crystal X-ray studies from 295 to 900 K
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氧化物离子传导 Nd9.33(SiO4)6O2 中结构参数的温度依赖性：295 至 900 K 的单晶 X 射线研究
DOI：
10.1016/j.jssc.2004.09.024
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发表时间：
2004
影响因子：
3.3
通讯作者：
S. Kikkawa
中科院分区：
文献类型：
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作者：
H. Okudera;A. Yoshiasa;Y. Masubuchi;M. Higuchi;S. Kikkawa
采用高温单晶X射线衍射方法研究了氧化物离子导电性Nd9.33（SiO 4）6 O2的晶体空间群、结构参数及其在295 ~ 900 K温度范围内的热变化。标题化合物具有磷灰石结构（空间群P63/m），在所研究的温度范围内没有发生明显的结构变化。观察到的属于SiO 4四面体的氧离子热运动的各向异性表明该四面体在结构中具有高刚性，表明它们形成sp3杂合轨道，并且配体氧不参与氧离子导电性。几乎完全占领的6 h Nd网站和高度各向异性位移的六方通道内的氧化物离子保持在检查的温度范围内。这一结果证实，在六角形通道内的氧化物离子的传输是在标题化合物的导电的主导过程。
Crystallographic space group, structural parameters and their thermal changes in oxide-ion-conducting Nd9.33(SiO4)6O2were investigated using high-temperature single-crystal X-ray diffraction experiments in the temperature range of 295⩽T⩽900K. The title compound has the apatite structure (space group P63/m), and no notable structural change occurred over the temperature range examined. Observed anisotropy in thermal motions of oxide ions which belong to SiO4tetrahedron indicated high rigidity of the tetrahedron in the structure, indicating that they form sp3 hybrid orbitals and the ligand oxygens do not take part in oxide-ion conductivity. Virtually full occupation of the 6h Nd site and highly anisotropic displacements of oxide ion inside the hexagonal channel were maintained over the temperature range examined. This result confirms that oxide-ion transport inside the hexagonal channel is the dominant process of conduction in the title compound.
影响因子：
--
作者：
León-Reina, L;Losilla, ER;Aranda, MAG
通讯作者：
Aranda, MAG