X-ray Diffraction Line Profile Analysis of Natural Calcite Minerals found in Southern Philippines by Williamson-Hall Method

Abstract

This study employs the Williamson–Hall (W–H) models to examine the microstrains and crystallite sizes of CaCO3 occurring as calcite in limestone samples found in General Santos City and Sarangani Province, Southern Philippines. Using both the Uniform Deformation Model (UDM) and Uniform Stress  Deformation (USDM) models, computations for average sizes were established to be identical, implying minimal strain influence. The consistency of resulting measurements extends to the microstrain, revealing uniform results for all samples. Correlation between crystallite sizes and microstrains in the calcite crystals was observed, where high-purity calcites exhibited larger crystallite sizes and microstrains. The crystallite sizes decrease with microstrains for calcites with higher Mg concentration, a finding that can be attributed to lattice distortion and the formation of defects. The release of stress forms these defects, thereby resulting in a reduction of microstrains. Moreover, the distinctly variable responses to strain exhibited by the samples could be influenced by either their anisotropic properties or other additional components. The W–H models, used jointly with UDM and USDM consistently predicted crystallite sizes, and thus offer valuable insights into the uniform stress responses of calcites. These promising results notwithstanding, USDM is shown to be especially relevant for anisotropic samples owing to the display deviations of crystallite sizes, a key feature of anisotropic natural calcites. The microscopic analysis is expected to provide additional understanding regarding the state of the limestone samples.