Accuracy of single-crystal time-of-flight neutron diffraction: a comparative study of MnF₂

The degree of accuracy that can be obtained at present with single-crystal time-of-flight (TOF) neutron diffraction is assessed. TOF neutron data were collected for MnF₂ at room temperature and 15 K on the single-crystal diffractometer, SCD, at the Argonne pulsed spallation neutron source, IPNS. From the same crystal used in the neutron study, extensive γ-ray diffraction data were measured at room temperature and 11 K. The severely extinguished neutron data can be properly corrected on the basis of conventional extinction models. The study shows that very accurate crystal-structure parameters can be obtained from the single-crystal TOF technique.