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The high‐pressure clinopyroxene mineral jadeite (chemical composition NaAlSi2O6) was studied by density‐functional theory with respect to its electronic, vibrational, and thermodynamic properties, correctly reproducing the available experimental data. At a larger‐than‐normal volume, however, a low‐density alumosilicate phase with tetrahedral instead of octahedral Al–O coordination was identified....
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