当前位置: X-MOL 学术J. Am. Ceram. Soc. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Structure and stability of alkali gallates structurally reminiscent of hollandite
Journal of the American Ceramic Society ( IF 3.5 ) Pub Date : 2020-06-22 , DOI: 10.1111/jace.17327
Christian A. Juillerat 1, 2 , Vancho Kocevski 2, 3 , Vladislav V. Klepov 1 , Jake W. Amoroso 2, 4 , Theodore M. Besmann 2, 3 , Hans‐Conrad Loye 1, 2, 4
Affiliation  

Single crystals of CsGa7O11, RbGa7O11, and RbGa4In5O14 were grown from alkali halide melts and their structures were characterized by single crystal and powder X‐ray diffraction. CsGa7O11 and RbGa7O11 adopt the same structure type, reminiscent of the hollandite structure type, as it contains nearly rectangular channels made up of two dimers of edge‐sharing GaO6 octahedra, and two corner‐sharing octahedron/tetrahedron pairs. The structure of RbGa4In5O14 is more complex and is comprised of indium octahedra, gallium trigonal bipyramids, and gallium tetrahedra, and contains similar sized tunnels as CsGa7O11 and RbGa7O11. CsGa7O11 and RbGa4In5O14 were further characterized by TGA, ion exchange experiments, and DFT studies revealing that both structures are thermodynamically stable up to 850°C; however, CsGa7O11 decomposes to GaO(OH) xH2O when heated in warm aqueous solutions. CsGa7O11 undergoes ion exchange in both an aqueous solution of RbCl and a RbNO3 melt, as predicted by DFT studies, where the ion exchange is more extensive in the RbNO3 melt.

中文翻译:

碱性没食子酸盐的结构和稳定性在结构上让人联想到钙铁矿

CsGa 7 O 11,RbGa 7 O 11和RbGa 4 In 5 O 14的单晶由碱金属卤化物熔体生长而成,其结构通过单晶和粉末X射线衍射进行表征。CsGa 7 O 11和RbGa 7 O 11采用相同的结构类型,让人想起了钙铁矿结构类型,因为它包含由两个边缘共享的GaO 6八面体和两个角共享的八面体/四面体对组成的几乎矩形通道。。RbGa 4 In 5 O 14的结构该化合物更复杂,由八面体铟,三角双锥体镓和四面体镓组成,并包含与CsGa 7 O 11和RbGa 7 O 11相似大小的隧道。通过TGA,离子交换实验和DFT研究进一步表征了CsGa 7 O 11和RbGa 4 In 5 O 14,这两种结构在高达850°C的温度下都具有热力学稳定性。然而,CsGa 7 ö 11分解为高(OH)1 H 2时在温暖的水溶液加热O操作。砷化镓7 O 11在氯化铷的两个水溶液和RbNO经历离子交换3熔化,通过DFT研究,其中所述离子交换是在RbNO更广泛的如预测的3熔体。
更新日期:2020-06-22
down
wechat
bug