Abstract: The electronic structure of the clusters containing oxygen, the stacking fault and the complex in the transition metal Ni are calculated by the multiple-scattering Xa method. Energy levels,density of states and transfer of charge are obtained. Based on the calculation and analysis,the influences of impurity oxygen and structure defect on the electronic structure of the clusters are discussed, and it is found that the local Ni-o cluster with the interstitial oxygen is a stable atomic configuration.