Figure 4From: Incorporation of Mg2+ in surface Ca2+ sites of aragonite: an ab initio study Top view of the relaxed aragonite {001} surface wherein Mg 2+ substitutes for Ca 2+ . Comparison of (a) surface structure without Mg2+ ions and (b) with Mg2+ substituting for Ca2+. Red, brown, blue, and orange circles represent O, C, Ca, and Mg, respectively. [A] and [B] are labeled as in Figure 1.Back to article page