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Figure 1
Malachite-like (top) and rosasite-like (bottom) crystal structures of Co2CO3(OH)2 as obtained from DFT calculations. The rosasite-like structure is displayed with the atomic positions shifted in a way that maximizes the coincidence with the malachite structure and does not follow the values listed in Table 2[link]. Colour shading is used to represent alternative cells with different values of the monoclinic angle. The green-shaded cell was used for the DFT calculations. Colour code: Co blue, C grey, O red and H white.

ISSN: 2052-5206
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