from core.lattice import Lattice # ---- Eu2Ir2O7 powder diffraction ----- # # create lattice Eu227 = Lattice([10.3], 'F d -3 m') # atomic positions Eu227.add_atom('Eu', [0.5, 0.5, 0.5]) Eu227.add_atom('Ir', [0.0, 0.0, 0.0]) Eu227.add_atom('O', [0.375, 0.375, 0.375]) Eu227.add_atom('O', [0.332, 0.125, 0.125]) # diffraction setup Eu227.diffraction(11217) # plot powder pattern Eu227.diffract.powder()