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Published in 2020 at "Scientific Reports"
DOI: 10.1038/s41598-020-64481-8
Abstract: The full crystal structure of the phyllosilicate mineral tuperssuatsiaite, including the positions of the hydrogen atoms in its unit cell, is determined for the first time by using first-principles solid-state methods. From the optimized structure,…
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Keywords:
infrared spectrum;
crystal structure;
spectrum elastic;
compressibility ... See more keywords