The coherent crystalline domain size of a particle is well understood and investigable from the broadening of X-ray diffraction (XRD) peaks by Williamson–Hall (WH) method in connection with a strain, and it has a correlation with the strain, stress, energy density, defects/dislocations. The coherent domain size of binary semiconducting material particles is being interlinked with the applications like sensors, solar systems, photo-detectors, photocatalyst, etc. In this work, the frustrated microstructure of PbS elucidated the perspective of different models of the WH method. Frustrated microstructural PbS nanomaterial was prepared, confirmed and rendered its microstructural analysis from the XRD data and scanning electron microscope. Eight various approaches as the variant models of the Williamson–Hall plotting methods have been tested. It includes the models like Balzar approach, UDM, USDM, UDEDM, mWHP model, $E_{hkl}$/E$_0$ ratio model, direct fitting of simplified WH model with introducing new approach and the modified Kibasomba-WH model, which uses linearization of Scherrer equation with the WH method. This study lightens the USDM and UDEDM sizes in an account of a Zener constant. The other non-WH methods like the Scherrer formula method, modified Scherrer method, stress–strain methods and Halder–Wagner method are also included for comparison and to see their status in a cluster of frustrated structures. The sizes in connection with strain, stress, energy density, dislocation and stacking fault have also been investigated for the frustrated PbS nanomaterial.