物理化学学报 >> 1997, Vol. 13 >> Issue (02): 113-118.doi: 10.3866/PKU.WHXB19970204

研究论文 上一篇    下一篇

PbCuP2O7的制备和晶体结构

陈学安,赵凌,李言,陈本明   

  1. 中国科学院化学所，北京 100080
  • 收稿日期:1996-04-12 修回日期:1996-09-17 发布日期:1997-02-15
  • 通讯作者:

Preparation and Crystal Structure of PbCuP2O7

Chen Xue-An,Zhao Ling,Li Yan,Chen Ben-Ming   

  1. Institute of Chemistry,Academia Sinica,Beijing 100080
  • Received:1996-04-12 Revised:1996-09-17 Published:1997-02-15
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摘要：

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＝8.205（2），C＝12.570（3）?，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＝0.054.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.

关键词: PbCuP2O7, 单晶, 晶体结构

Abstract:

 Single crystal of PbCuP2O7 has been prepared by the conventional solid state reaction method. Its crystal structure has been determined from X-ray four-circle diffractometer data: P21/n, a=5.381(1), b=8.205(2), c=12.570(3)?, β＝90.49(3)°,Z=4, R=0.054 for 1311 structure factors and 101 variable parameters. The frame-work of PbCuP2O7 consists of corner-sharing CuO5 square pyramids and P2O7 groups forming large tunnels running along α-axis. Pb atoms are located in the pentagonal shaped windows, which are formed by the edges of two square pyramid and three PO4 tetrahedra.

Key words: Crystal structure, PbCuP2O7, Single crystal