Dataset for 'Tuning hardness in calcite by incorporation of amino acids'

This work investigates the origin of the superior hardness of biogenic calcite by creating “model biominerals” from calcite single crystals containing glycine (0-7 mol%) or aspartic acid (0-4 mol%). Lattice distortions in these crystals were analyzed using x-ray diffraction and molecular dynamics simulations, while SS-NMR showed that the amino acids are incorporated as individual molecules. Nanoindentation hardness increased with amino acid content, reaching values equivalent to their biogenic counterparts. Finally, a dislocation pinning model reveals that the enhanced hardness is determined by the force required to cut covalent bonds in the molecules.