We demonstrate hydrothermally grown sodium hydrogen zirconium phosphate ((Na,H)–ZrP) crystals exhibiting high calcium ion selectivity. The standard Gibbs free energies for Ca2+ exchange on (Na,H)–ZrP and γ-type ZrP were estimated to be −10.1 and −4.69 kJ mol−1, respectively. The high Ca2+ selectivity of (Na,H)–ZrP could be attributed to the size matching between the ion exchange site of (Na,H)–ZrP and Ca2+.
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