2. Compositions and Simulation Conditions of the Investigated Molten Cryolite Systems.
| Name | Al atoms | F atoms | Na atoms | O atoms | Ca atoms | Volume (Å3) | Temperature (K) |
|---|---|---|---|---|---|---|---|
| Cryolite | 40 | 240 | 120 | 0 | 0 | 6670.15 | 1285 |
| AlF3 | 46 | 267 | 129 | 0 | 0 | 7489.27 | 1270 |
| Alumina | 60 | 288 | 126 | 9 | 0 | 8266.91 | 1255 |
| Bath | 49 | 261 | 120 | 9 | 6 | 7384.12 | 1240 |