Supplemental Material: Multistage germanium-rich sphalerite and wurtzite mineralization from the Qingshan carbonate-hosted Zn-Pb deposit, SW China

Supplemental File S1—Figure S1: high-angle annular dark field–scanning transmission electron microscopy (HAADF-STEM) image and corresponding energy dispersive spectroscopy (EDS) elemental maps of Wz-3, showing a galena nanoparticle; Figure S2: HAADF-STEM image and corresponding EDS elemental maps of Sp-3; Table S1: convergence tests for energy cutoff and k-point mesh of standard sphalerite crystal structure; Table S2: convergence tests for energy cutoff and k-point mesh of standard wurtzite crystal structure; Table S3: optimized lattice parameters and relative deviations for sphalerite and wurtzite; Table S4: formation energy of Ge substitution in ZnS crystal; Table S5: bond distances (Å) of geometry optimization of Ge substituted sphalerite and wurtzite (Jobs 3–8) compared to standard sphalerite and wurtzite crystal structures (Jobs 1 and 2). Supplemental File S2—Table S6: laser ablation–inductively coupled plasma–mass spectroscopy trace element dataset of sphalerite and wurtzite from the Qingshan deposit; Table S7: in-situ sulfur isotopic compositions of Wz-3 and Sp-3; Table S8: estimations of temperature in sphalerite and wurtzite from the Qingshan deposit.<p></p>