Synthesis,crystal and electronic structure of Cd2PCl2: influence of cation on characteristic structural features of pnictide halides of Group 12 metals

Cadmium phosphide chloride Cd₂PCl₂ was prepared by the ampule synthesis method at 770 K. Crystals were obtained from the gaseous phase by the chemical transport reaction. The crystal structure of Cd₂PCl₂ is built of the P₂Cd₆ octahedra, which are linked in layers by sharing four equatorial vertices. The layers alternate in a fashion analogous to that observed in the K₂NiF₄ structural type and are linked in a three-dimensional framework through the halogen atoms. The characteristic features of the crystal and electronic structures of pnictide halides M₂PCl₂ (M = Cd or Hg) were considered based on X-ray diffraction data and results of quantum-chemical calculations.