Liquid Structure of Magnesium Aluminates

Magnesium aluminates (MgO)(Al₂O₃)_1- belong to a class of refractory materials with important applications in glass and glass-ceramic technologies. Typically, these materials are fabricated from high-temperature molten phases. However, due to the difficulties in making measurements at very high temperatures, information on liquid-state structure and properties is limited. In this work, we employed the method of aerodynamic levitation with CO₂ laser heating at large scale facilities to study the structure of liquid magnesium aluminates in the system (MgO)(Al₂O₃)_1-, with x = 0.33, 0.5, and 0.75, using X-ray and neutron diffraction. We determined the structure factors and corresponding pair distribution functions, providing detailed information on the short-range structural order in the liquid state. The local structures were similar across the range of compositions studied, with average coordination numbers of n¯AlO∼4.5 and n¯MgO∼5.1 and interatomic distances of rAlO=1.76-1.78 Å and rMgO=1.93-1.95 Å. The results are in good agreement with previous molecular dynamics simulations. For the spinel endmember MgAl₂O₄ (x = 0.5), the average Mg-O and Al-O coordination numbers gave rise to conflicting values for the inversion coefficient χ, indicating that the structural formula used to describe the solid-state order-disorder transition is not applicable in the liquid state.