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Three diphosphates, α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2: influences of co-substitution on the crystal structure

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Abstract

Three diphosphates, α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2, were synthesized via a high-temperature solution method. α-Li2Na2P2O7 crystallized into a non-centrosymmetric space group Ama2, while Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2 crystallized into the centrosymmetric space groups C2/c and P[1 with combining macron]respectively. α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2 could be obtained by co-substitution from each other. Also, we found that the high valence state and small atomic radius of the substituted cations resulted in a larger cation–cation distance, which led to a lower dimension of the structure. Li2Na2P2O7 possessed two phases, namely, α- and β-Li2Na2P2O7, and their second harmonic generation (SHG) responses were compared. We also reported the syntheses, IR spectra, UV–vis–NIR diffuse reflectance spectroscopy data, thermal properties and first principles calculations of the title compounds.

Graphical abstract: Three diphosphates, α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2: influences of co-substitution on the crystal structure

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Supplementary files

Article information


Submitted
22 Mar 2020
Accepted
15 Apr 2020
First published
16 Apr 2020

Dalton Trans., 2020, Advance Article
Article type
Paper

Three diphosphates, α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2: influences of co-substitution on the crystal structure

M. Wen, C. Hu, H. Wu, Z. Yang, X. Wu and S. Pan, Dalton Trans., 2020, Advance Article , DOI: 10.1039/D0DT01070G

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