. 2019 Nov 15;31(24):10161–10169. doi: 10.1021/acs.chemmater.9b03782

Table 2. Equilibrium Mn–Br distances (Angstroms) Calculated by DFT in Five A₂ZnBr₄ Hosts.

compound	d₁	d₂	d₃	d₄	d_average
Li₂ZnBr₄	2.378	2.386	2.380	2.378	2.380
Na₂ZnBr₄	2.383	2.381	2.383	2.384	2.383
K₂ZnBr₄	2.363	2.363	2.380	2.382	2.372
Rb₂ZnBr₄	2.373	2.377	2.355	2.355	2.365
Cs₂ZnBr₄	2.354	2.386	2.354	2.374	2.367

Table 2. Equilibrium Mn–Br distances (Angstroms) Calculated by DFT in Five A2ZnBr4 Hosts.