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新化合物PbCuP2O7的单晶通过高温固相反应制备得到，使用X一射线四园衍射仪测定了它的单晶结构.PbCuP2O7属单斜晶系，空间群为P21／n，晶胞参数：α＝5．381（1），b＝8．2O5（2），C＝12．57O（3）A，β＝90．49（3）°，Z＝4．使用1311个I＞2σ（I）反射修正101个变量参数，最终收敛到R＝0．O54．其晶体结构是由共顶点的CuO5四方锥和P2O7集团沿α轴形成较大的孔道所组成，Pb原子位于由两个四方锥和三个PO4四面体的棱所夹的五角形孔道中．
The single crystal of the new compound PbCuP2O7 was prepared by solid-state reaction at high temperature. The single crystal structure of PbCuP2O7 was determined by X-ray diffraction analysis. PbCuP2O7 belongs to the monoclinic system with space group P21 / n. The unit cell parameters are α = 5.381 (1), b = 8.2O5 (2), C = 12.57O (3) A, β = 90.49 (3) °, Z = 4. Using 1311 I> 2σ (I) reflections, 101 variable parameters were corrected, eventually converging to R = 0. O54. The crystal structure is composed of a total of vertex CuO5 tetragonal pyramids and P2O7 groups along the α axis to form larger channels, Pb atoms located in the two square pyramids and three PO4 tetrahedral edges of the pentagonal confined edges of the channel.