High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral
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DOI: 10.3390/min13050619
Abstract: We report on high-pressure angle-dispersive synchrotron X-ray diffraction data of a natural Zn3.78(2)Cu1.22(2)(CO3)2(OH)6 aurichalcite mineral up to 7.6 GPa and ab initio total energy calculations of the aurichalcite structure with three different Zn-Cu stoichiometries (Zn:Cu… read more here.
Keywords: structure; aurichalcite mineral; pressure; experimental dft ... See more keywords