Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
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DOI: 10.1107/s2052252522006662
Abstract: Accurate crystal structures of H2O, D2O and mixed (50%H2O/50%D2O) ice VI obtained by Hirshfeld atom refinement (HAR) of high-pressure single-crystal synchrotron and laboratory X-ray diffraction data are presented. It was possible to obtain O—H bond… read more here.
Keywords: atom refinement; hirshfeld atom; accurate crystal; ray diffraction ... See more keywords