Na3La2(BO3)3的晶体结构

以Na2CO3-H3BO3-NaF为助熔剂,使用顶部籽晶法生长出Na3La2(BO3)3透明单晶.测定了Na3La2(BO3)3的晶体结构,该晶体属正交晶系,空间群:mm2(No.38),晶胞参数为a＝0.51580(10)nm,b=1.1350(2)nm,c=0.73230(15)nm,α＝β＝γ＝90°,V＝0.42871(15)nm3,密度:.053g/cm3.晶体结构中的硼氧基团是平面的BO3基团,BO3基团相互独立,且与Na(1)O6、Na(2)O8、Na(3)O6和La(1)O9配位多面体连结形成三维网络骨架结构.讨论了Na3La2(BO3)3的晶体结构与倍频效应的关系.

Crystal Structure of Sodium Lanthanum Borate Na3La2(BO3)3

Single crystal of Na3La2(BO3)3 was grown from the high temperature solution by employing Na2CO3-H3BO3-NaF as fluxes. The structure was established by single-crystal X-ray diffraction method. The compound crystallizes in the orthorhombic system, space group Amm2 (No.38) with a=0.51580(10) nm, b=1.1350(2) nm, c=0.73230(15) nm, α=β=γ=90°, V=0.42871(15) nm, and Z=2. Its three-dimensional network structure is formed by isolated BO3 triangles held together by the Na(1)O6, Na(2)O8, Na(3)O6, and La(1)O9 polyhedra. The relationship between the structure and optical second harmonic generation (SHG) effect of Na3La2(BO3)3 crystal was also discussed.