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Joint crystallization of KCuAl[PO4]2 and K(Al,Zn)2[(P,Si)O4]2: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure.
Acta Crystallographica Section B ( IF 2.684 ) Pub Date : 2020-06-08 , DOI: 10.1107/s2052520620005715
Olga Yakubovich 1 , Galina Kiriukhina 1 , Larisa Shvanskaya 1 , Anatoliy Volkov 1 , Olga Dimitrova 1
Affiliation  

Two novel phases, potassium copper aluminium bis(phosphate), KCuAl[PO4]2 (I), and potassium zinc aluminium bis(phosphate‐silicate), K(Al,Zn)2[(P,Si)O4]2 (II), were obtained in one hydrothermal synthesis experiment at 553 K. Their crystal structures have been studied using single‐crystal X‐ray diffraction. (I) is a new member of the A+M2+M3+[PO4]2 family. Its open 3D framework built by AlO5 and PO4 polyhedra includes small channels populated by columns of CuO6 octahedra sharing edges, and large channels where K+ ions are deposited. It is assumed that the stability of this structure type is due to the pair substitution of Cu/Al with Ni/Fe, Co/Fe or Mg/Fe in different representatives of the series. From the KCuAl[PO4]2 structural features, one may suppose it is a potentially electrochemically active material and/or possible low‐temperature antiferromagnet. In accordance with results obtained from X‐ray diffraction data, using scanning electron microscopy, microprobe analysis and detailed crystal chemical observation, (II) is considered as a product of epitaxial intergrowth of phosphate KAlZn[PO4]2 and silicate KAlSi[SiO4]2 components having closely similar crystal structures. The assembly of `coherent intergrowth' is described in the framework of a single diffraction pattern.

中文翻译:

KCuAl [PO4] 2和K(Al,Zn)2 [(P,Si)O4] 2的联合结晶:晶体化学和磷酸盐-硅酸盐外延异质结构的形成机理。

两个新颖的相,钾铜铝双(磷酸盐),KCuAl [PO 4 ] 2(I)和钾锌铝双(磷酸盐-硅酸盐),K(Al,Zn)2 [(P,Si)O 4 ] 2(II)是在一个553 K的水热合成实验中获得的。它们的晶体结构已使用单晶X射线衍射进行了研究。(I)是A + M 2+ M 3+ [PO 4 ] 2家族的新成员。由AlO 5和PO 4多面体构建的开放式3D框架包括由CuO 6列填充的小通道八面体共享边,并形成大通道,其中沉积K +离子。假定该结构类型的稳定性是由于在该系列的不同代表中用Ni / Fe,Co / Fe或Mg / Fe对Cu / Al的成对取代。从KCuAl [PO 4 ] 2的结构特征来看,它可能是一种潜在的电化学活性材料和/或可能的低温反铁磁体。根据从X射线衍射数据获得的结果,使用扫描电子显微镜,微探针分析和详细的晶体化学观察,(II)被认为是磷酸盐KAlZn [PO 4 ] 2和硅酸盐KAlSi [SiO 4的外延共生产物。] 2具有紧密相似的晶体结构的组分。“相干共生”的组装在单个衍射图样的框架中描述。
更新日期:2020-06-08
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