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Approximations to the full description of stacking disorder in ice I for powder diffraction
ISSN
2196-7105
2194-4946
Date Issued
2015
Author(s)
DOI
10.1515/zkri-2014-1780
Abstract
Different descriptions of the stacking disorder of the so-called "cubic" phase "ice I-c" and stacking-faulted hexagonal ice I-h exist. We present an overview of the effect of different stacking disorder interaction ranges s from s = 2 to s = 4 after Jagodzinski on the (neutron) powder diffraction patterns of stacking-disordered ice I, which we propose to name ice I-ch. We fit in a systematic approach simulated diffraction data of ice I-ch for s up to 4 with a multi-peak approach. In this way we allow for estimating the relative proportion of cubic sequences in the stacking sequences by using readily accessible observables of a diffraction pattern.