Fig. 2: Crystal structures of intercalated materials obtained from single-crystal X-ray diffraction data. | Nature Communications

Fig. 2: Crystal structures of intercalated materials obtained from single-crystal X-ray diffraction data.

From: Advancing intercalation strategies in layered hybrid perovskites by bringing together synthesis and simulations

Fig. 2

a Part of the crystal structure of seven intercalated perovskites ([H3N(CH2)mNH3]PbX2·X2). I, Br, N and C atoms are represented by purple, brown, blue and black spheres, respectively, whilst the Pb-centred polyhedra are shown in pink. Hydrogen atoms are omitted for clarity. The linear ‘length’ of the [H3N(CH2)mNH3]2+ cation is labelled. b Two views of the crystal structures for all three m = 7 samples [H3N(CH2)7NH3]PbBr4·Br2, [H3N(CH2)7NH3]PbBr4·IBr and [H3N(CH2)7NH3]PbI4·I2. c Two views of the crystal structure for all three [H3N(CH2)mNH3]PbI4·I2 (m = 7, 8 and 9) intercalated samples. d Two views of the crystal structure for [H3N(CH2)8NH3]PbBr4·I2 and [H3N(CH2)8NH3]PbI4·I2 where the halide in the inorganic layers is different.

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