. 2022 Oct 4;6(10):2499–2507. doi: 10.1021/acsearthspacechem.2c00205

Table 4. Unit Cell Parameters and Energies of the Zn-LDH Crystal Structures with Different Amounts of Fe³⁺ Cations^a.

parameters	Zn:Al₁₀Fe₂	Zn:Al₆Fe₆	Zn:Fe₁₂
a	3.138	3.145	3.164
b	3.120	3.134	3.163
c	22.178	22.175	22.184
α	89.5	89.2	89.3
β	90.0	90.1	90.0
γ	120.8	120.5	120.2
energy	–6977.5394	–7226.2093	–7599.1961

Distances are given in Å, angles in degrees, and energies are in eV per unit cell.

Table 4. Unit Cell Parameters and Energies of the Zn-LDH Crystal Structures with Different Amounts of Fe3+ Cationsa.