Two noncentrosymmetric polyphosphates, namely LiCsP₂O₆ and LiRbP₂O₆ have been synthesized from the high temperature solution. The structural analysis suggests that both of them crystallize in orthorhombic space group Fdd2 (No.43), with lattice parameters: a = 18.517(4) Å, b = 19.037(4) Å, c = 13.011(3) Å, and Z = 32 for LiRbP₂O_6, while a =19.009(13) Å, b = 19.402(13) Å, c = 13.180(9) Å, and Z = 32 for LiCsP₂O₆. In the structure, the PO₄ polyhedra are connected through corner-sharing to form 1D infinite (PO₃) _∞ chains stretching along the c axis, which are further linked by the LiO₄ polyhedra to construct a 3D framework with two types of tunnels. And the Rb/Cs atoms are filled in or around the periphery of the tunnels to keep the charge equilibrium. The IR spectra verify their structural validity. In addition, other characterizations including the UV−vis−NIR diffuse reflectance spectra, as well as first-principles theoretical studies have been performed on the two compounds.

从高温溶液合成了两种非中心对称的多磷酸盐，即LiCsP ₂ O ₆和LiRbP ₂ O ₆。结构分析表明它们都在正交空间群Fdd 2（No.43）中结晶，晶格参数为：a = 18.517（4）Å，b = 19.037（4）Å，c = 13.011（3）Å，以及LiRbP ₂ O _6的Z = 32 _，而a = 19.009（13）Å，b = 19.402（13）Å，c = 13.180（9）Å，LiCsP ₂ O _6的Z = 32。在该结构中，PO ₄多面体通过拐角共享连接，形成沿c轴延伸的1D无限（PO ₃）_∞链，这些链通过LiO ₄多面体进一步连接，以构造具有两种类型隧道的3D框架。Rb / Cs原子填充在隧道的周围或周围，以保持电荷平衡。红外光谱证实了其结构有效性。此外，还对这两种化合物进行了包括UV-vis-NIR漫反射光谱以及第一原理理论研究在内的其他表征。