A high temperature powder neutron diffraction structural study of the apatite-type oxide ion conductor, La9.67Si6O26.5
A high temperature powder neutron diffraction structural study of the apatite-type oxide ion conductor, La9.67Si6O26.5
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磷灰石型氧化物离子导体La9.67Si6O26.5的高温粉末中子衍射结构研究
DOI：
10.1016/j.jpcs.2008.04.033
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发表时间：
2008
影响因子：
4
通讯作者：
P. Slater
中科院分区：
文献类型：
--
作者：
J. Tolchard;P. Slater
本文报道了氧化物离子导体La9.67Si6O26.5在25~900℃温度范围内的高分辨中子粉末衍射研究。P63空间群的数据与实验数据最吻合，在所研究的温度范围内没有发现对称性有任何变化的证据。间隙氧化物离子被发现位于与以前计算机模拟研究预测的位置相似的位置，并与相关材料的结构研究相一致。此外，这些地点的占有率由于来自邻近位置的Frenkel类型的混乱而增加。因此，这些结果进一步支持了这样的解释，即在这些磷灰石类型的系统中，硅酸盐亚结构对于间隙氧化物离子的调节和它们的迁移是重要的。
High-resolution neutron powder diffraction studies of the oxide ion conductor La9.67Si6O26.5are reported for temperatures ranging between 25 and 900°C. The best fit to the data was obtained for space group P63and there was no evidence for any change in symmetry over the temperature range studied. Interstitial oxide ions are identified lying in sites similar to those predicted by previous computer modelling studies, and in agreement with structural studies on related materials. Furthermore, occupancy of these sites is enhanced by Frenkel-type disorder from neighbouring positions. The results thus add further weight to the interpretation that, in these apatite-type systems, the silicate substructure is important for the accommodation of interstitial oxide ions and their migration.
影响因子：
4.9
作者：
Kendrick, Emma;Islam, M. Saiful;Slater, Peter R.
通讯作者：
Slater, Peter R.