Fig. 2: Crystal structures of (4,4-DFPD)2GeBr4. | Nature Communications

Fig. 2: Crystal structures of (4,4-DFPD)2GeBr4.

From: Lone pair expression in fluorinated two-dimensional hybrid perovskite enables multiaxial ferroelectricity and nonlinear optical response

Fig. 2: Crystal structures of (4,4-DFPD)2GeBr4.

Packing view of (4,4-DFPD)2GeBr4 at a 273 K and b 407 K. The 4s2 lone pair electrons activity of [GeBr6]4- octahedron at c 273 K and d 407 K. Geometrical parameter of 2D [GeBr4]2− layer at e 273 K and f 407 K. Electron localization function (ELF) maps at g LTP and h HTP project on the plane of 2D layer. The hydrogen on the C and N atoms were omited for clarity. The lone pair electrons repel the bonding electrons, resulting in two distinct Ge–Br bond lengths and structural polarization in octahedron.

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