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Crystal Structure and Spectroscopic Properties of a New Ternary Tungstate Li3Ba2Ho3(WO48
引用本文:曾小玲,张继业,陈达贵,黄丰.Crystal Structure and Spectroscopic Properties of a New Ternary Tungstate Li3Ba2Ho3(WO48[J].结构化学,2013,32(1):33-38.
作者姓名:曾小玲  张继业  陈达贵  黄丰
作者单位:Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences;Graduate School of Chinese Academy of Sciences
基金项目:supported by the National Natural Science Foundation of China(20971123,51002153,21007070,51102232,61106004 and 21103191)
摘    要:A single crystal of Li3Ba2Ho3(WO4)8 was obtained from a flux of Li2WO4 under an air atmosphere. The structure of the pure crystal was determined by single-crystal X-ray diffraction method. It crystallizes in the monoclinic system, space group C2/c with a = 5.240(4), b = 12.790(10), c = 19.247(15), β = 91.921(15)°, V = 1289.1(18)3, Z = 2, Mr = 2773.09, Dc = 7.144 g/cm3, μ = 47.732 mm-1, Rint = 0.0693, F(000) = 2340, the final R = 0.0472 and wR = 0.1221 for 1535 observed reflections (I > 2σ(I)). The Li3Ba2Ho3(WO4)8 has a high structure disorder with one 8f site shared by Li(1) and Ho ions with occupancy of 0.25 and 0.75, respectively. The fundamental structure is constituted by distorted square antiprisms Ho/Li(1)O8 with C1 symmetry, distorted Li(2)O6 octahedra and BaO10 polyhedra. The optical properties were investigated by IR and absorption spectroscopy, and the emission cross sections and gain cross sections of 5I7 → 5I8 of Ho3+ were calculated.

关 键 词:Li3Ba2Ho3(WO4)8  crystal  structure  crystal  growth  optical  properties
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