Powder Diffraction ( IF 0.5 ) Pub Date : 2023-05-16 , DOI: 10.1017/s0885715623000155 Liuqing Liang , Weijun Li , Meiwen Lu , Sheng Li , Degui Li , Bin Gu
A new ternary intermetallic compound Al3GaCu9 was synthesized experimentally. A high-quality powder diffraction pattern of the compound was collected by an X-ray diffractometer, and its crystal structure was determined using the Rietveld refinement method. Results show that the compound has a cubic cell with the Al4Cu9 structure type (space group $P\bar{4}3m$ and Pearson symbol cP52). The lattice parameter a = 8.7132(3) Å, unit-cell volume V = 661.52 Å3, calculated density Dcalc = 7.26 g/cm3, and Z = 4. The residual factors converge to Rp = 2.96%, Rwp = 4.06%, and Rexp = 2.57%. The experimentally obtained reference intensity ratio value is 7.04.
中文翻译:
新型三元金属间化合物Al3GaCu9的实验合成及晶体结构精化
实验合成了一种新型三元金属间化合物Al 3 GaCu 9 。通过X射线衍射仪收集该化合物的高质量粉末衍射图,并使用Rietveld精修方法确定其晶体结构。结果表明,该化合物具有Al 4 Cu 9结构类型的立方晶胞(空间群$P\bar{4}3m$,皮尔逊符号cP 52)。晶格参数a = 8.7132(3) Å,晶胞体积V = 661.52 Å 3,计算密度D calc = 7.26 g/cm 3,Z = 4。剩余因子收敛为R p = 2.96%,R wp = 4.06%,R exp = 2.57%。实验得到的参考强度比值为7.04。