Journal
CHEMICAL COMMUNICATIONS
Volume -, Issue 19, Pages 2440-2441Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b309000k
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First-principles periodic density-functional theory calculations suggest ternary fluorides LiMgF3, NaCaF3 and LiNiF3 should adopt the ferroelectric LiNbO3 structure at low temperatures; LiMgF3 and LiNiF3 are predicted to have negative enthalpies of formation from the binary fluorides.
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