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研究了Ａ３Ｃ６０和Ａ２ＢＣ６０晶体的结构和稳定性．计算了它们的Ｍａｄｅｌｕｎｇ常数、结合能、晶格常数和体积弹性模量，并讨论了晶体中的短程相互作用．结果显示，短程相互作用对晶体结构和八面体空隙碱金属的稳定性具有极大的影响．ＣｓＫ２Ｃ６０、ＲｂＫ２Ｃ６０和Ｋ３Ｃ６０的晶格常数计算结果与实验测量值非常符合．
The structure and stability of A3C60 and A2BC60 crystals were investigated. Their Madelung constants, binding energies, lattice constants and bulk modulus were calculated and the short-range interactions in the crystal were discussed. The results show that the short-range interaction has a great influence on the crystal structure and the stability of octahedral void alkali metals. The calculated lattice constants of CsK2C60, RbK2C60 and K3C60 are in good agreement with the experimental measurements.