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.