钒钡铜矿晶体结构的再测定

REDETERMINATION OF THE CRYSTAL STRUCTURE OF VESIGNIEITE

钒钡铜矿Cu_3Ba(VO)4)_2(OH)_2的空间群为C_2/m,晶胞参数:a_0=1.0270(2),b_0=0.5911(1),c_0=0.7711(2)nm,β=116.42(3)°。用RIGAKU RASA-IIS四圆单晶衍射仪收集了强度数据,采用帕特逊法及电子密度函数法测定了晶体结构,用614个独立的衍射点(|F_0|>3δ|F_0|)对结构进行修正,R=0.051。晶体结构分析表明钒钡铜矿具层状结构,构造层平行于(001)。根据晶胞参数对其X-射线粉晶衍射线进行了指标化。

Vesignieite, Cu_3Ba(VO_4)_2(OH)_2, crystallizes in space group C2/m with a_0=1.0270(2), b_0=0.5911(1), c_0=0.7711(2)nm, β=116.42(3)°. The intensity data were collected with the RIGAKU RASA-ⅡS single-crystal four-circle diffractometer. The structure was determined by Patterson and Fourier methods and refined by the leastsquers technique to a final R index of 0.051 for 614 independent reflections with |F_0|>3δ|F_0|. The crystal structure analysis shows that vesignieite has a layer structure parallel. to (001). The powder diffraction lines were reindexed.