Ab initio structure determination of hydromagnesite
This protocol is extracted from research article:
A nanocrystalline monoclinic CaCO3 precursor of metastable aragonite
Sci Adv, Dec 12, 2018; DOI: 10.1126/sciadv.aau6178

Three datasets from three platy hydromagnesite crystals were collected using EDT. Their measurements were consistent with the following monoclinic cell parameters: a = 9.9(1) Å, b = 8.9(1) Å, c = 8.5(1) Å, β = 114.4(5)°. Crystallographic extinctions suggested space group P21/c, which was in good agreement with published data (30) for this mineral (P21/c, a = 10.105 Å, b = 8.954 Å, c = 8.378 Å, β = 114.44°). The ab initio structure determination of a selected crystal (fig. S2) and refinement of its EDT data resulted in reasonable refinement parameters (table S3) and literature data matching Mg, C, and O atomic positions (table S4). The cif structure data and measured hkl file were reported in data files S1 and S2, respectively.

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