A New Double Alkali Metal Borate LiRbB8O13 with Large Bandgap and Birefringence

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A new double alkali metal borate,LiRbB8O13,has been obtained in the sealed system.Its structure consists of two kinds of independent interpenetrating 3D frameworks composed of the fundamental building block,[B8O16]8-.It crystallizes in the P21/c space group with a =10.950(6),b =7.689(4),c =11.375(7) (A),β =96.653(7)°,V=951.2(9) (A)3,Z=4,F(000) =736,Dc =2.702 g/cm3,Mr =386.89 andμ =5.289 mm-1.The final R =0.0547 and wR =0.1224.The UV-Vis-NIR diffuse reflectance spectrum,infrared spectrum and the first-principle theoretical studies show that the title compound possesses a short cut-off edge and large birefringence.
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