Synthesis and Crystal Structure of a New Layered Carbide [Zr1.97Y0.03]Al4C5
Synthesis and Crystal Structure of a New Layered Carbide [Zr1.97Y0.03]Al4C5
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DOI：
10.1111/j.1551-2916.2008.02274.x
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发表时间：
2008-04
影响因子：
3.9
通讯作者：
K. Fukuda;Miyuki Hisamura;T. Iwata;S. Hashimoto;H. Nakano
中科院分区：
文献类型：
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作者：
K. Fukuda;Miyuki Hisamura;T. Iwata;S. Hashimoto;H. Nakano
合成了一种新型层状碳化物[Zr1.97Y0.03] Al 4C 5，并用X射线粉末衍射（XRPD）、透射电子显微镜（TEM）和能谱（EDX）对其进行了表征。通过EDX测定原子比[Zr：Y]，并使用Rietveld方法从实验室XRPD数据（CuKα1）中精炼晶体结构。晶体为三方晶系（空间群R3 m，Z=3），晶格尺寸a=0.331934（4）nm，c=4.09459（3）nm，V=0.390701（7）nm ~ 3。最终的可靠性指标为Rwp=10.29%（S=1.31），Rp= 7.45%，RB= 1.63%，RF= 1.04%。化合物显示出与NaCl型[Zr1.97Y0.03C3]薄板的共生结构，所述薄板由Al 4C 3型[AlC]层隔开。该材料与Zr 2 [Al3.56Si0.44]C5是同构的。
A new layered carbide, [Zr1.97Y0.03]Al4C5, has been synthesized and characterized by X-ray powder diffraction (XRPD), transmission electron microscopy, and energy-dispersive X-ray spectroscopy (EDX). The atom ratios [Zr:Y] were determined by EDX, and the crystal structure was refined from laboratory XRPD data (CuKα1) using the Rietveld method. The crystal is trigonal (space group R3m, Z=3) with lattice dimensions of a=0.331934(4) nm, c=4.09459(3) nm, and V=0.390701(7) nm3. The final reliability indices were Rwp=10.29% (S=1.31), Rp=7.45%, RB=1.63%, and RF=1.04%. The compound shows an intergrowth structure with NaCl-type [Zr1.97Y0.03C3] thin slabs separated by Al4C3-type [AlC] layers. This material is isostructural with Zr2[Al3.56Si0.44]C5.