Acta Crystallographica Section B Structural Science · 2012 · 153 citations · 4 references
Natural SciencesChemistryMaterials ScienceCondensed Matter PhysicsCrystal StructureThermal AnalysisIce ChemistryIce Crystal StructureThermal Expansion AnalysisUnit CellsLattice ConstantsPowder DiffractionPowder X-ray DiffractionSynchrotron DiffractionSynchrotron X-ray DiffractionThermal ExpansionUnit Cell VolumeX-ray Diffraction Of Ice
In a previous paper we reported the lattice constants and thermal expansion of normal and deuterated ice Ih [Röttger et al. (1994). Acta Cryst. B 50, 644-648]. Synchrotron X-ray powder diffraction data were used to obtain the lattice constants and unit-cell volumes of H(2)O and D(2)O ice Ih in the temperature range 15-265 K. A polynomial expression was given for the unit-cell volumes. It turns out that the coefficients quoted have an insufficient number of digits to faithfully reproduce the volume cell data. Here we provide a table with more significant digits. Moreover, we also provide the coefficients of a polynomial fit to the previously published a and c lattice constants of normal and deuterated ice Ih for the same temperature range.
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Isotope effects in ice Ih: A path-integral simulation
The Journal of Chemical Physics · 2011 · 56 citations · Full text
Natural Sciences, Chemistry, Physics +17