. 2019 Mar 22;4(3):5714–5721. doi: 10.1021/acsomega.9b00056

Table 1. Geometrical Parameters of Optimized Monolayers NiX₂ (X = Cl, Br, I), Lattice Constant (a₀), Bond Length between Atoms Ni and X (d_Ni–X), and Interlayer Distance between Two Halide Planes (d₀).

compound	a₀ (Å)	d_Ni–X (Å)	d₀ (Å)
NiCl₂	3.518	2.424	2.648
NiBr₂	3.700	2.573	2.868
NiI₂	3.983	2.775	3.107

Table 1. Geometrical Parameters of Optimized Monolayers NiX2 (X = Cl, Br, I), Lattice Constant (a0), Bond Length between Atoms Ni and X (dNi–X), and Interlayer Distance between Two Halide Planes (d0).