As an erosional landform, the formation processes of Danxia landform are controlled by internal and external forces as well as lithologic properties. Using field data, we studied the role of lithologic properties on the formation of Danxia landform in Kongtongshan National Geopark, northwest China, through a series of experiments, including uniaxial compressive strength, identification analysis under polarizing microscope, X-ray diffraction analysis, inductively coupled plasma-mass spectrometry analysis, and scanning electron microscopy. The results show that the diagenesis degree, mineral composition, cement composition, degree of cementation, geochemical composition and element contents, and micro-structure influenced the structure and anti-weathering and anti-erosion abilities of the Danxia rock mass. Differential weathering of rock in different environments was an important force shaping the different types of Danxia landform. Weathering failure of the Danxia rock mass was the result of multiple combined factors; as well as lithology, other factors, such as those induced during tectonic uplift (i.e., faulting, jointing, and fracturing) and climate, cannot be neglected. Therefore, lithology played an important role in the structural development of Danxia landform, and different lithologies influenced its weathering rate and formation processes. Our findings can provide a reference for revealing the microscopic development of Danxia landform in arid and semi-arid areas.