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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Lattice trends in Ti_5Si_3Z_x (Z=B, C, N, O and 0
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Lattice trends in Ti_5Si_3Z_x (Z=B, C, N, O and 0

机译：Ti_5Si_3Z_x的晶格趋势（Z = B，C，N，O和0

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摘要

Several Ti_5Si_3Z_x compositions (Z=boron,carbon, nitrogen and oxygen) were synthesized by arc-melting.Powder X-ray diffraction indicates the materials maintain theMn_5Si_3-type structure of the binary compound Ti_5Si_3.Calculated cell constants were correlated to ternary compositionbased on chemical analysis. Nitrogen and oxygen additions toTi_5Si_3 promote a cell volume decrease, while boron additionspromote a cell volume increase. Carbon additions cause a decreasein the a-cell constant and an increase in the a-cell constant with aconcomitant cell volume increase. Room temperature X-ray singlecrystal structural analysis was performed on one composition foreach ternary addition. Each analyzed composition has theP6_3/mcm space group (No.193) with the Mn_5Si_3-typestructure. The ternary addition occupies the normally vacantinterstitial site at the center of the trigonal antiprisms of titanium(Ti2) atoms (Ti_6Z polyhedra), located in chains at the corners ofthe hexagonal unit cell. Bonding between the interstitial atoms andthe titanium (Ti2) atoms in the Ti_6Z polyhedra is indicated by adecrease in the Ti2-Ti2 and Ti2-Z atomic separations.
机译：通过电弧熔化合成了几种Ti_5Si_3Z_x组成（Z =硼，碳，氮和氧）。粉末X射线衍射表明材料保持了二元化合物Ti_5Si_3的Mn_5Si_3-型结构。分析。向Ti_5Si_3中添加氮和氧会导致细胞体积减少，而向硼中添加硼会增加细胞体积。碳的添加导致α-细胞常数的降低和α-细胞常数的增加，同时伴随着细胞体积的增加。对每种三元添加的一种组合物进行室温X射线单晶结构分析。每个分析的组成具有P6_3 / mcm空间组（编号193），具有Mn_5Si_3-型结构。三元加成占据钛（Ti2）原子三角反棱镜（Ti_6Z多面体）的三角形反棱镜中心的正常空隙位置，该位置位于六边形晶胞角处的链中。在Ti_6Z多面体中，间隙原子与钛（Ti2）原子之间的键由Ti2-Ti2和Ti2-Z原子间距的减小表示。

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