Fig. 1.

Crystal structure and static deformation electron density. a, b Crystal structure of (a) AB₂X₂ (Mg₃Sb₂) and (b) SnS₂. Mg1 and Mg2 represent Mg atoms in the Mg monolayer and [Mg₂Sb₂]²⁻ layer, respectively. c, d Coordination polyhedrons of the nonequivalent atoms in (c) AB₂X₂ (Mg₃Sb₂) and (d) SnS₂. e, f Static deformation electron density map on (110) plane containing both interlayer and intralayer interactions of (e) Mg₃Sb₂ and (f) SnS₂. The contour interval is 0.006 e Å⁻³. Positive (negative) contours are plotted with red full (blue dotted) lines. The inset shows the corresponding (110) plane