The space of mountain center city has diversified characteristics, which has interactive relations with the city overall function. Based on analyzing the contradictions between the characteristics of central city and the form of mountainous city, following the mountainous central cities' characteristics of multi-group, multi-center, multi-dimensional and multi-level, the theoretical model which reflects mathematic and abstract relationship between the characteristics and the overall function of the mountainous central cities was constructed. On the basis of the mountainous cities' characteristics and the scientific planning, the model develops the mountainous cities space and macro-functions theory.