Powder neutron diffraction studies of solid CF3I indicate that there are two solid-state phases with a transition temperature of 115 K. The structure of the higher-temperature phase I, which melts at approximately 143 K, has been determined from high-resolution powder diffraction data. The structure is orthorhombic, space group Cmca, Z = 8, with a = 7.5354(7) Å, b = 5.8491(6) Å, c = 19.323(1) Å at 130 K. The structure consists of bilayers of iodine atoms interspaced with bilayers of CF3 groups.
Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.