Structural investigation of two synthetic oxyborates: The mixed magnesium-manganese and the pure cobalt ludwigites, Mg1.93(2)Mn1.07(2)O2BO3 and Co3O2BO3
Abstract
The structures of two synthetic oxyborates, the magnesium – manganese ludwigite Mg1.93Mn1.07O2BO3 and the pure cobalt ludwigite Co3O2BO3 have been investigated by single crystal X-ray diffraction techniques. The space group symmetries of both borates is Pbam, Z = 4. The unit cell dimensions are a = 9.202(2), b = 12.532(2) and c = 2.993(1) Å for the Mg – Mn borate, and a = 9.275(1), b = 12.146(1) and c = 3.0265(3) Å for the Co borate.
The structural model of the Mg – Mn ludwigite has been refined versus the 645 most significant [I > 3σ(I)] reflections with sin (θ)/λ ≤ 1.0 Å−1 to an R-value of 0.035. The results indicate the composition Mg1.93(2)Mn1.07(2)BO5. The structural model of the Co ludwigite has been refined versus the 670 most significant [I > 3σ(I)] reflections with sin (θ)/λ ≤ 0.9 Å−1 to an R-value of 0.038.
The structures obtained are well ordered and have indicated metal ion charge distributions in agreement with those found in other members of the pinakiolite family. Due to the differences in the X-ray scattering powers of the Mg and Mn atoms the scheme of the cation ordering in the Mg – Mn ludwigite could be experimentally obtained. As indicated by i.a. estimated bond valence distributions this scheme is possibly also valid for the Co ludwigite.
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- The crystal structure of bis(sulfonylophenylo)diiodomethane, C13H10I2O4S2
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