The refinement of the crystal structure of iron oxyfluoride, FeOF

A precise structural refinement of ferric oxyfluoride (FeOF) has been carried out by means of singlecrystal diffraction methods. The symmetry is tetragonal, space group {P4 ₂}/{mnm} with a cell having dimensions: a = 4.654 ± 0.003, c = 3.058 ± 0.003 Å and containing two formula units. The structure was refined by full-matrix least squares to a conventional reliability factor of 0.032 and a weighted factor of 0.024. The structure of this compound, which is of the rutile type, is discussed.