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Figure 10
Electron density difference maps obtained by DFT calculations of the pressure induced evolution of the stereochemically active lone electron pairs (highlighted by white circles) show that at high pressures there is a charge accumulation along the Pb—Pb contacts, i.e. Pb—Pb bonds have been formed by transferring 6s electrons of a Pb atom into empty 6p orbitals of a Pb atom <3 Å away. 2 × 2× 2 supercells are shown along the c axis.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 76| Part 6| December 2020| Pages 979-991
https://doi.org/10.1107/S205252062001238X
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