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Crystal Structure and Properties of a Sodium Terbium Borate Na_(2.67)Tb_(2.11)B_3O_9

Crystal Structure and Properties of a Sodium Terbium Borate Na_(2.67)Tb_(2.11)B_3O_9
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摘要 A new nonlinear optical crystal of sodium terbium borate (Na2.67Tb2.11B3O9, Mr = 573.14) was synthesized by solid reaction method. The colorless transparent single crystals were grown from the high temperature solution by employing NaBO2 as flux. The structure was deter- mined by single-crystal X-ray diffraction method. The compound crystallizes in the orthorhombic system, space group Amm2 with a = 5.0744(10), b = 10.990(2), c = 6.9078(14) A, V = 385.24(13) A3, Dc = 4.941 g/cm3, F(000) = 250, Z = 2, μ= 9.205 mm-1, the final R = 0.0253 and wR = 0.0610. Its three-dimensional network structure is constructed from isolated BO33-, Na(1)O8, Na(2)O6, Na(3)O6 and Tb(1)O9 polyhedra. Variable-temperature magnetic susceptibility measurements show the compound is paramagnetic (μj = 7.04 μb). The intensity of the second harmonic generation of Na2.67Tb2.11B3O9 is 2.5 times that of KDP. A new nonlinear optical crystal of sodium terbium borate (Na2.67Tb2.11B3O9, Mr = 573.14) was synthesized by solid reaction method. The colorless transparent single crystals were grown from the high temperature solution by employing NaBO2 as flux. The structure was deter- mined by single-crystal X-ray diffraction method. The compound crystallizes in the orthorhombic system, space group Amm2 with a = 5.0744(10), b = 10.990(2), c = 6.9078(14) A, V = 385.24(13) A3, Dc = 4.941 g/cm3, F(000) = 250, Z = 2, μ= 9.205 mm-1, the final R = 0.0253 and wR = 0.0610. Its three-dimensional network structure is constructed from isolated BO33-, Na(1)O8, Na(2)O6, Na(3)O6 and Tb(1)O9 polyhedra. Variable-temperature magnetic susceptibility measurements show the compound is paramagnetic (μj = 7.04 μb). The intensity of the second harmonic generation of Na2.67Tb2.11B3O9 is 2.5 times that of KDP.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第12期1823-1828,共6页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China (91022025, 51072036) the Natural Science Foundation of Fujian Province (2010J01284)
关键词 oxyborates crystal structure solid-state synthesis flux growth rare earths optical second harmonic generation effect oxyborates, crystal structure, solid-state synthesis, flux growth, rare earths, optical second harmonic generation effect
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