Abstract

A new anhydrous mixed alkali metals borophosphate, Li3Cs2BP4O14, has been synthesized by the solid-state reaction. Single crystal X-ray diffraction analysis reveals that the title compound crystallized in a tetragonal geometry with space group of P42/mbc (No. 135) and cell parameters of a=10.3413(5)Å, b=10.3413(5)Å, c=12.042(2)Å. Its one-dimensional (1D) chain structure is constructed by fundamental building unit (FBU) of [B(P2O7)2]5− which contains P–O–P connections with B:P=1:4. Thermal analysis, UV–Vis-near-IR diffuse reflectance spectroscopy, IR spectroscopy and theoretical calculations have been well performed on this new borophosphate compound.

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