利用中子衍射和XRD技术,结合Reitveld拟合和Fourier变换,对Laves相零基体合金Ti0.68Zr0.32MnCr的氘化物中氘的占位特征进行了研究.氘化物Ti0.68Zr0.32MnCrD3.0的中子衍射谱除Bragg衍射峰外,还出现明显的漫散射包,而相应的XRD谱却只呈现衍射峰,未发现漫散射包.对衍射谱与相应的RDF分析表明,这种C14型Laves相氘化物中只有部分氘原子随机不饱和地分布在确定的4种A2B2四面体间隙位置,并形成长程有序结构,这部分氘原子在6h1和12k位的占位系数比6h2和241位大.而氘化物中的另一部分氘原子并不是随机分布,而是不同程度地偏离间隙中心的位置,形成比长程有序结构更大的氘原子间距的短程有序结构.短程与长程有序的氘原子共同形成沿着合金六方晶格的c轴在Ti/Zr原子周围的四面体间隙聚集的网格团簇结构.这种偏离有序位置的团簇结构是大量氘原子在晶格间隙中聚集所造成的.
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