CRYSTAL-STRUCTURES AND CRYSTAL-CHEMISTRY IN SYSTEM NA1+XZR2SIXP3-XO12
CRYSTAL-STRUCTURES AND CRYSTAL-CHEMISTRY IN SYSTEM NA1+XZR2SIXP3-XO12
复制标题
DOI：
10.1016/0025-5408(76)90073-8
复制
发表时间：
1976-01-01
影响因子：
5.4
通讯作者：
HONG, HYP
中科院分区：
文献类型：
--
作者：
HONG, HYP
作为寻找快速碱金属离子传输的骨架结构的一部分，Na 1+ x Zr 2 Si x P 3− x O 12系统已经制备，结构分析和与Li+，Ag+和K+离子可逆交换。用X射线单晶分析确定了NaZr 2 P3 O 12的组成和结构，其空间群为R3 <$c，晶胞参数为Ar = 8.815（1）A <$，cr = 22.746（7）A <$。在1.8≤ x≤ 2.2的区间内出现了对单斜对称性的微小畸变。Na 3 Zr 2Si 2 PO 12的晶体结构为C2c空间群，a m= 15.586（9）A，B m= 9.029（4）A，c m= 9.205（5）A，β= 123.70（5）°。PO 4或（SiO 4）四面体与ZrO 6八面体共享角和三维连接的间隙空间的三维网络。在菱面体结构中的两个可区分的碱离子位点中，一个在两个末端成员中完全占据，另一个的占据率在整个系统中从0到100%变化。与快Na+离子导体β-Al 2 O3的几个性能进行了比较。
As part of a search for skeleton structures for fast alkali-ion transport, the system Na 1+ x Zr 2 Si x P 3− x O 12 has been prepared, analyzed structurally and ion exchanged reversibly with Li+, Ag+, and K+ ions. Single-crystal x-ray analysis was used to identify the composition NaZr 2 P 3 O 12 and to refine its structure, which has rhombohedral space group R3̄c with cell parameters a r= 8.815 (1) A ̊ and c r= 22.746 (7) A ̊. A small distortion to monoclinic symmetry occurs in the interval 1.8≤ x≤ 2.2. The structure for Na 3 Zr 2 Si 2 PO 12, proposed from powder data, has space group C 2 c with a m= 15.586 (9) A ̊, b m= 9.029 (4) A ̊, c m= 9.205 (5) A ̊, and β= 123.70 (5)° Both structures contain a rigid, three-dimensional network of PO 4 or (SiO 4) tetrahedra sharing corners with ZrO 6 octahedra and a three-dimensionally linked interstitial space. Of the two distinguishable alkali-ion sites in the rhombohedral structure, one is completely occupied in both end members, the occupancy of the other varies across the system from 0 to 100 percent. Several properties are compared with the fast Na+-ion conductor β-alumina.