A new ternary compound, Mg_11-xZn_xSr in the Mg-Zn-Sr system was observed and studied using Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscope (EDS), X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM). The XRD patterns were refined by the Rietveld refinement method and the results revealed that the crystallized Mg_11-xZn_xSr phase belonged to tetragonal I41/amd space group and had the Cd₁₁Ba prototype. The Mg atoms were successfully doped into Zn₁₁Sr crystal lattice by occupying Zn atomic sites. Moreover, the Rietveld refinement and computational results demonstrated a gradual decrease in the a-axis and c-axis lattice parameters with decreasing concentration levels of Mg coordination substitution in the lattice of Mg_11-xZn_xSr compound. The elastic constants and modulus of the Mg_11-xZn_xSr compounds calculated by first-principles calculations (FPC) indicated they were increased with the increasing of Zn content. The variation of hardness, d-band widths and the total density of states for Mg_11-xZn_xSr compounds with Zn content was discussed.

利用扫描电子显微镜 (SEM)、能谱仪 (EDS)、X 射线衍射 (XRD) 和透射电子显微镜观察和研究了 Mg-Zn-Sr 体系中的一种新型三元化合物 Mg 11- x Zn _{x Sr}显微镜（TEM）。XRD图谱采用Rietveld精修法精修，结果表明结晶的Mg _11-x Zn _x Sr相属于四方晶系I41/amd空间群，原型为Cd ₁₁ Ba。Mg原子通过占据Zn原子位置成功地掺杂到Zn ₁₁ Sr晶格中。此外，Rietveld 细化和计算结果表明 a轴和c轴晶格参数随着 Mg _11-x Zn _x Sr 化合物晶格中 Mg 配位取代浓度水平的降低。通过第一性原理计算(FPC)计算的Mg _11-x Zn _x Sr化合物的弹性常数和模量表明它们随着Zn含量的增加而增加。讨论了Mg _11-x Zn _{x Sr化合物的硬度、} d带宽度和总态密度随Zn含量的变化。