Extended Data Fig. 7: Comparison between the crystal structure and the structural model used in electronic structure calculations. | Nature

Extended Data Fig. 7: Comparison between the crystal structure and the structural model used in electronic structure calculations.

From: Directed assembly of layered perovskite heterostructures as single crystals

Extended Data Fig. 7

a, The crystal structure of (Pb2Cl2)(CYS)2PbCl4. b, The structural model used for calculation of absorption spectra and electron–hole interactions with half the unit-cell volume. Disordered atoms in a are resolved and hydrogen atoms in b are removed for clarity. Both structures are viewed along the c axis. Unit-cell borders are shown in red. The atoms Pb, Cl, C, N and S are coloured light-blue, green, grey, blue and yellow, respectively.

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