Structure of Low Temperature Phase β-Ba3Y(BO3)3 Crystal

摘要

Crystals of the low temperature phase β-Ba3Y(BO3)3 have been synthesized by the flux method. The structure of the title compound crystallizes in the hexagonal system, space group P63cm with the following parameters: a = 9.416(3), c = 17.536(8) A, V= 1346.6(8) A3, Ba3YB3Og,Mr = 677.36, Z = 6, Dc = 5.012 g/cm3, λ(MoKα) = 0.71073 A,μ = 19.409 mm- 1, Flack parameter =0.02(3), F(000) = 1764, R = 0.0714 and wR = 0.1696 for 1076 observed reflections with Ⅰ＞ 2σ(Ⅰ).The compound contains two sets of YO6 octahedra, four sets of BaO9 polyhedra and three sets of BO3 planar triangles.