Fig. 5: Structural evolution in the GPM Form IV-Form V solid-solid phase transition. | Nature Communications

Fig. 5: Structural evolution in the GPM Form IV-Form V solid-solid phase transition.

From: Phase-selective synthesis and polymorphic transformation of crystalline red phosphorus

Fig. 5

a Schematic diagram of the transition from Form IV to Form V via a single tube intermediate. b, c Structural subunits of Form IV and Form V, respectively. The red dashed circles indicate the bridging P-P bond connecting twin tubes. d The distribution diagram of integrated crystal orbital Hamilton population (-ICOHP) values and bond lengths for all P-P bonds in Form IV and Form V. e Schematic diagram of the structural evolution of Form V subunits formed by extension growth based on the single tube P21 intermediate. f Calculated relative electronic energy distribution diagrams of intermediates in the Form IV-Form V transition. g Summary diagram of the conversion pathway based on the P21 intermediate.

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