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.
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.
基金
supported by the National Natural Science Foundation of China(20971123,51002153,21007070,51102232,61106004 and 21103191)
