Crystal Structures of Cadmium Phosphidechlorides Cd7P4Cl6and Cd4P2Cl3

Abstract The crystal structure of Cd 7 P 4 Cl 6 (I) has been redetermined and of Cd 4 P 2 Cl 3 (II) solved based on the single crystal X ray diffraction experiments. Crystal data: I, cubic space group Pa 3, a =11.936(1) A, z =4, and R =0.0226 for 398 independent reflections and 28 refined parameters; II, cubic space group Pa 3, a =12.135(1) A, z =8, and R =0.0256 for 466 independent reflections and 29 refined parameters. Both phases crystallize in a space group Pa 3, but have quite different crystal structures. The structure of I comprises a three-dimensional cationic net ∞ 3 [Cd 3 P 2 ] 2+ and discrete octahedral anions (CdCl 6 ) 4− . The structure of II is based on a fcc packing of cadmium atoms with octahedral and tetrahedral interstices filled with either chlorine or phosphorus atoms or P–P pairs.