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. 2025 Sep 5;10(36):41820–41827. doi: 10.1021/acsomega.5c05781

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