Single crystals of LiY6O5(BO3)3 were obtained by the flux method and its structure was determined by a four-circle automatic diffractometer with a MoKa radiation. It crystallizes in monoclinic, space group P21 with a = 8.330(3), b = 15.444(4), c = 8.780(3) (A), β = 91.85(3)°, V =1129.0(6) (A)3, Z = 4, Mr= 796.83, F(000) = 1456, μ = 30.567 mm-1, Dc = 4.688 g/cm3, the final R =0.0722 and wR = 0.1304. It exhibits a three-dimensional framework of yttrium-oxygen polyhedra interconnected by common edges and corners. B and Li atoms are located in the planes and cavities formed by oxygen atoms, respectively.
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Beijing Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, The Chinese Academy of Sciences, Beijing 100080, China;
