The crystal structure in relation to the mixed-alkali effect of the filled cristobalite-type ionic conductor (Na1.4K0.6)ZnGeO4
The crystal structure in relation to the mixed-alkali effect of the filled cristobalite-type ionic conductor (Na1.4K0.6)ZnGeO4
复制标题
填充方石英型离子导体(Na1.4K0.6)ZnGeO4的晶体结构与混碱效应的关系
DOI：
10.1016/0025-5408(90)90110-n
复制
发表时间：
1990
影响因子：
5.4
通讯作者：
J. Grins
中科院分区：
文献类型：
--
作者：
J. Grins
(Na 1.4 K 0.6) ZnGeO 4 的晶体结构已通过全剖面Rietveld技术根据X射线粉末衍射仪数据确定并精修至R F= 8.6%。该结构为斜方晶系，空间群Pca2 1，晶胞a= 10.7399 (11) A ̊，b= 5.3616 (5) A ̊，c= 14.9796 (16) A ̊，V= 862.6 A ̊ 3。它是一种填充方英石型结构，其骨架为 ZnGeO 4 ， ZnO 4 和GeO 4 四面体的角共享，并且在框架的空腔中具有碱离子。 K 离子仅存在于碱金属离子晶格位点的两个可用子集之一上。结构数据的讨论与在(Na 2x K 2 (1− x)) ZnGeO 4 中观察到的x中间值的离子电导率下降有关（混合碱效应）。
The crystal structure of (Na 1.4 K 0.6) ZnGeO 4 has been determined and refined from X-ray powder diffractometer data by the full-profile Rietveld technique to R F= 8.6%. The structure is orthorhombic, with space-group Pca2 1 and unit cell a= 10.7399 (11) A ̊, b= 5.3616 (5) A ̊, c= 14.9796 (16) A ̊ and V= 862.6 A ̊ 3. It is a filled cristobalite-type structure with a ZnGeO 4 framework formed by corner-sharing ZnO 4 and GeO 4 tetrahedra and with the alkali ions in the cavities of the framework. The K ions are found on only one of the two available sub-sets of lattice sites for the alkali ions. The structural data are discussed in relation to the observed decrease in the ionic conductivity for intermediate values of x in (Na 2x K 2 (1− x)) ZnGeO 4 (mixed-alkali effect).