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Three Alkali Metal Lead Orthophosphates – Syntheses, Crystal Structures and Properties of APbPO 4 (A = K, Rb, Cs)
Author(s) -
Huang Shengshi,
Jing Qun,
Han Jian,
Pan Shilie,
Wu Hongping,
Yang Zhihua
Publication year - 2015
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201403244
Subject(s) - isostructural , chemistry , alkali metal , crystallography , tetrahedron , crystal structure , spectroscopy , metal , single crystal , crystal (programming language) , inorganic chemistry , organic chemistry , physics , quantum mechanics , computer science , programming language
Three alkali metal lead orthophosphates, APbPO 4 (A = K, Rb, Cs), have been synthesized by conventional solid‐state reaction. The single‐crystal X‐ray structural analyses revealed that they crystallize in the same space group, Pnma (No. 62), but they are not all isostructural. APbPO 4 (A = K, Rb) are isostructural, and the three‐dimensional (3D) structure of RbPbPO 4 (representative) consists of [Pb1|Rb1O 4 ] ∞ chains connected with isolated PO 4 tetrahedra, the Pb2|Rb2 atoms filling the pore space. The 3D structure of CsPbPO 4 consists of another kind of chains, [PbO 4 ] ∞ , connected with isolated PO 4 tetrahedra, and the Cs atoms reside in the channel. Thermal, IR spectroscopy, and UV/Vis/NIR diffuse reflectance spectroscopy analyses have also been performed. In addition, first‐principle theoretical studies were carried out to aid in the understanding of the electronic structures and the projected density of states of CsPbPO 4 .