Figure 3 | Scientific Reports

Figure 3

From: Hypervalent Iodine with Linear Chain at High Pressure

Figure 3

The lattice dynamics and bonding behavior analysis of Pm-3n CsI3.

(a) Calculated phonon spectrum of Pm-3n CsI3 at 10 GPa. (b) Interatomic distances (between atoms shown in the structure directly underneath) in I2, CsI3 and CsI as a function of external pressure. (c) ELF of CsI3 at 150 GPa. (d) Calculated Bader charge of cesium and iodine in CsI3 as a function of external pressure.

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