This study systematically investigates the interface structure of three body-centered-cubic (BCC) metallic (Fe, V and Nb) films grown on MgO(100) substrates through experiments and simulations. Orientation relationships of their interfaces with the different lattice mismatch exhibit cube-on-cube configurations. The misfit dislocations at these three interfaces exhibit different characteristics. High resolution TEM (HRTEM), combined with first principle calculations, demonstrates the O-atop match type between metal atoms and MgO substrates for the first time. The fundamental mechanism in determining the interface configuration is discussed in term of the work of separation and the delocalization of atomic charge density.