Crystal structure of the ternary compound γ-Al3FeSi
Crystal structure of the ternary compound γ-Al3FeSi
复制标题
三元化合物γ-Al3FeSi的晶体结构
DOI：
10.1524/zkri.2011.1423
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发表时间：
2011
影响因子：
35.6
通讯作者：
J. Viala
中科院分区：
文献类型：
--
作者：
J. Roger;E. Jeanneau;J. Viala
摘要用两种Al-Fe-Si熔体在冷水中淬火生长出三元硅化铁铝化物γ-Al 3FeSi晶体。晶体结构由单晶X射线数据确定：三角对称，空间群R-3（n°148），晶胞参数a = 10.2223（2）<$，c = 19.6791（4）<$（V = 1781 <$3）;富硅晶体a = 10.1987（2）<$，c = 19.5320（3）<$（V = 1759 <$3）。γ-Al_3FeSi的结构可用Al-Al对连接在一起的Al立方体来描述。该结构还含有Al立方八面体，中心有一个Fe-Al混合原子。从精炼中获得的平均化学式为Al 3FeSi。由于硅取代了铝原子，该相在铝网络上显示出部分无序。这种替代机制是该相的大均匀性范围的起源。
Abstract Ternary iron silicide aluminide γ-Al3FeSi crystals were grown from two Al—Fe—Si melts quenched in cold water. The crystal structures were determined from single-crystal X-ray data: trigonal symmetry, space group R-3 (n°148), unit cell parameters a = 10.2223(2) Å, c = 19.6791(4) Å (V = 1781 Å3) for the Si-poorer crystal and a = 10.1987(2) Å, c = 19.5320(3) Å (V = 1759 Å3) for the Si-richer one. The structure of γ-Al3FeSi may be described in terms of Al-cubes connected together by Al—Al pairs. The structure contains also Al cuboctaedra with one Fe—Al mixed atom in the center. The average chemical formula obtained from the refinements is Al3FeSi. This phase shows a partial disorder on the aluminium network because of the substitution of aluminum atoms by silicon. This substitution mechanism is at the origin of the large homogeneity range of this phase.