Accurate and precise lattice parameters of H2O and D2O ice Ih between 1.6 and 270 K from high‐resolution time‐of‐flight neutron powder diffraction data

Accurate and precise lattice parameters for D2O and H2O varieties of hexagonal ice (ice Ih, space group P63/mmc) have been obtained in the range 1.6 to 270 K. Precision of the lattice parameters (∼0.0002% in a and 0.0004% in c for D2O, 0.0008% in a and 0.0015% in c for H2O) is ensured by use of the time‐of‐flight method on one of the longest primary neutron flight‐path instruments in the world, the High‐Resolution Powder Diffractometer at the ISIS neutron source. These data provide a more precise description of the negative thermal expansion of the material at low temperatures than the previous synchrotron `gold standard' [Röttger et al. (1994). Acta Cryst. B50, 644–648], including the region below 10 K where the lattice parameters saturate. The volume expansivity of both isotopologues turns negative below 59–60 K, in excellent agreement with a recent dilatometry study. The axial expansivities are highly isotropic (differing by