Abstract

The crystal structure of sanderite, MgSO4·2H2O, was determined from laboratory X-ray powder diffraction data measured from 2–140 °2𝛉 using CuKα radiation. Sanderite is orthorhombic, space group P212121, with unit-cell parameters a = 8.8932(1) Å, b = 8.4881(1) Å, c = 12.4401(2) Å, V = 939.16(3) Å3, Z = 8. The crystal structure model was determined using the charge flipping method and was refined using fundamental parameters Rietveld refinement method to Rwp = 6.52%, Rexp = 1.89%, and χ2 = 3.43. Bond-valence calculations for the refined model show that the structure is chemically reasonable. In the refined structure, Mg2+ cations are coordinated by four O atoms from [SO4]2− groups tetrahedra and by two H2O molecules, forming distorted octahedra. By sharing vertex O atoms, [SO4] and [MgO4(H2O)2] octahedra build up a 3-D framework.

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