Electrostatic lattice energies of some ABX3 polytypes with close-packed AX3 layers |
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Authors: | JW Weenk HA Harwig |
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Institution: | Inorganic Chemistry Department, State University Utrecht, Croesestraat 77A, Utrecht, The Netherlands |
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Abstract: | Electrostatic lattice energies (Madelung and polarization energies) for five ideal ABX3, structure types with close-packed AX3 layers (X = F, Cl, Br, I, O, S) are calculated. Stability regions for the ideal structure types are indicated as function of the anion radius and the anion polarizability. The effect on the electrostatic lattice energy due to trigonal deformations of the AX3 layers in the 2L and 3L stacked structures is discussed for the anions F and Cl. |
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