Figure 7
(a) The R-factor discrepancy for neutron diffraction refinements of a tetrahedron constrained to have xrot = yrot = 0° versus free refinement. (b) The wRp and Bragg R factors for variable-temperature X-ray refinements of HfMo2O8. Closed triangles represent parameters from the P1c refinement, open circles the P refinement and closed circles the Pm1 refinement. Above TC, refinements for all models give equivalent R factors. |