根据Zr-Fe-Nb体系中Laves_C15结构金属间化合物可能的成分范围熔炼合金铸锭,酸洗除氧化膜后经580℃/50 h退火处理获得单相合金试样,借助TEM＆SAD,EDS,XRD和Rietveld结构精修等方法获取Laves_ C15结构金属间化合物的晶体学信息.TEM&SAD结果表明,合金相具有面心立方结构.EDS分析表明,xzr/( xFe+ xNb)≈1/2,xNb/(xFe+xNb)≈12％～17％,合金相化学式可表示为Zr1+8(Fe1-xNbx)2,其中,-0.16 ＜δ＜0.05,0.12＜x＜0.17.实测XRD谱图所有衍射峰位与面心立方结构化合物ZrFe2(标准卡片,No.38-1169)的峰位基本一致,高角度衍射峰较标准ZrFe2峰位有所偏移,说明有部分Nb固溶.Rietveld结构精修得到的计算图谱与实测图谱的峰形与峰位拟合良好,可信度因子Rp =0.186,Rwp=0.152,Rexp =0.1016,RB=0.04479,S=1.496.精修得出合金相晶格常数为0.702283(8) nm,Nb进入16d的位置取代Fe,且Nb进入16d位置占位分数约为13％,与TEM结果(12％～17％)一致.此化合物可表示为Zr(FeNb)2.
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