Partial ordering in the section Hf5Ge4-Zr5Ge4: Crystallographic investigation and modeling based on ab initio calculations

Partial ordering in the solid solutions Hf5−xZrxGe4 (orthorhombic and tetragonal modifications) was investigated by X-ray diffraction methods and the corresponding equilibrium site fractions were modeled thermodynamically using ground state energies from DTF calculations.