Bi2Pb2V2O10的晶体结构

使用X射线单晶衍射法测定了Bi₂Pb₂V₂O₁₀的结构。该晶体属三斜晶系,空间群为C₁¹-P1,单位晶胞内化学式数Z=1,晶胞参数为:a=7.084(4)?,b=7.278(3)?,c=5.587(3)?,α=111.91(5)°,β=95.01(6)°,γ=108.86(4)°,V=245.70?³,D_x=7.35g/cm³,μ(MoK_α)=678,94cm^-1,F(000)=456。用Patterson函数分析及Forier技术测定了结构,对原子坐标、各向同性及各向异性热参数进行了最小二乘方修正,R=0.079。结构分析表明,Bi₂Pb₂V₂O₁₀的Pb原子与O原子形成八角十二面体,Bi原子与O原子形成六角多面体。两个共棱的Pb—O多面体与两个共棱的Bi—O多面体相连,并沿bc平面无限延伸。讨论了吸收的影响。最后,将Bi₂Pb₂VO₁₀的结构与Pb₂SO₅的结构进行了比较。 关键词：

THE CRYSTAL STRUCTURE OF Bi2Pb2V2O10

The crystal structure of Bi₂Pb₂V₂O₁₀ has been determined by X-ray single crystal diffraction method. The crystal belongs to triclinic system with space group P1, Z=1 and cell parameters: α=7.084(4)? b=7.278(3) ?, c=5.587(3)?, α=111.91(5)° β=95.01(6)°γ=108.86(4)°ν=245.70 ?³, D_x,=7.35 g/cm, (MoK_α)=678.94cm^-1, F(000)= 456. The structure was analysed by means of Patterson function and Fourier techniques. The coordinates of atoms, isotropic and anisotropic thermal parameters were refined to R=0.079 for 1054 independent reflections by least-squares refinement procedure. The structure analysis shows that eight O atoms around Pb atom form a polyhedron with 8-vertexes and six O atoms around Bi atom form a polyhedron with 6-ver-texes. Two Pb-0 polyhedra with common edge connect with two Bi-0 polyhedra with common edge. They extend along be plane. The effect of absorption was discussed. Finally, the comparison of the structure of Bi₂Pb₂V₂O₁₀ with Pb₂SO₅ was made.
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