Zn_(55.24)Al_(18.86)Zr_(25.9)的晶体结构研究  

Crystal Structure of Zn_(55.24)Al_(18.86)Zr_(25.9)

作　　者：朱文嘉[1,2] 李小波[1,2] 陈亮平[1,2] 欧阳雪梅[1,2] 

机构地区：[1]湘潭大学材料科学与工程学院,湘潭411105 [2]湘潭大学材料设计及制备技术湖南省重点实验室,湘潭411105

出　　处：《材料导报》2017年第12期126-130,共5页Materials Reports

基　　金：国家自然科学基金(51071181)

摘　　要：采用平衡合金法制备了Zn_(55.24)Al_(18.86)Zr_(25.9)三元化合物的合金样品,利用XRD、扫描电镜(SEM)对样品进行了表征,并使用Rietveld全谱拟合方法对化合物的晶体结构进行了研究。Rietveld精修的可靠性因子为:R_p=7.15%,R_(wp)=9.56%。该化合物属立方晶系,空间群为p4/mmm,点阵常数a=b=4.070 803,c=4.073 669。精修的结果表明Zr原子占据1a位置,部分Zn原子占据2e位置,另一部分Zn原子和Al原子混合占据1c位置。最后通过理论计算验证了所得结构的合理性。The ternary compound Zn55.24Al18.86Zr25.9 was prepared by equilibrated alloy method and examined by X-ray diffrac- tion, scanning election microscopy （SEM）. Crystal structure of the compound was successfully refined by the Rietveld method. The reliability factor for Rietveld refinement is Rp = 7. 15 %, Rwp = 9. 56%. The compound crystallized in a cubic structure with space group p4/mmm, lattice parameters a=b=4. 070 803 2A, c=4. 073 669 A. In the structure, Zr atoms occupied the la site, some Zn atoms occupied the 2e site, while the other Zn atoms and Al atoms were in the lc sites. Finally, the rationality of the obtained struc- ture was verified by theoretical calculation.

关 键 词：Zn-Al-Zr合金 RIETVELD方法 理论计算 

分 类 号：TG115.221.5[金属学及工艺—物理冶金]