A reliable approach to designing systems is by applying formal methods, based on logics and set theory. In formal methods refinement based, we develop the system models stepwise, from an abstract level to a concrete one by gradually adding details. Each detail-adding level is proved to still validate the properties of the more abstract level. Due to the high complexity and the high reliability requirements of 3D NoCs, formal methods provide promising solutions for modeling and verifying their communication schemes. In this paper, we present a general model for specifying the 3D NoC multicast communication scheme. We then refine our model to two communication schemes,: unicast and multicast, via the XYZ routing algorithm in order to put forward the correct-by-construction concrete models.