Both the mineralogy and geochemistry of coal mine waste presents environmental and social challenges while simultaneously offering the potential source for recovery of metals, including critical raw materials (CRMs). Assessing these challenges and opportunities requires effective waste management strategies and comprehensive material characterization. This study deals with the integration of analytical data obtained from various portable sensor technologies. Infrared reflection spectroscopy (covering a wide wavelength range of 0.4 to 15 µm), and geochemical x-ray fluorescence (XRF) were utilized to differentiate between samples belonging to various geological lithologies and quantify elements of interest. Therefore, we developed a methodological framework that encompasses data integration and machine learning techniques. The model developed using the infrared data predicts the Sr concentration with a model accuracy of R2 = 0.77 for the testing dataset; however, the model performances decreased for predicting other elements such as Pb, Zn, Y, and Th. Despite these limitations, the approach demonstrates better performance in discriminating materials based on both mineralogical and geochemical compositions. Overall, the developed methodology, enables rapid and in-situ determination of coal mine waste composition, providing insights into waste composition that are directly linked to potential environmental impact, and the possible recovery of economically valuable metals.