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AbstractLinarite, PbCuSO4(OH)2, crystallizes as secondary mineral in form of clusters of crystals in Mine du Pradet at Cap Garonne in France. A tiny single crystal was isolated and its structure was refined from synchrotron diffraction data (λ = 0.049592 nm): P121/m1, a = 467.75(2), b = 563.48(4), c = 967.64(5) pm, β = 102.647(5)°, wR = 0.0544, 819 F2 values and 56 variables. The proton positions were also refined. The Cu2+ cations are located within Cu(OH)2 ribbons and exhibit pronounced Jahn-Teller distortion (d(Cu–O): 2 × 191.9, 2 × 197.3 and 2 × 252.8 pm). The Cu(OH)2 ribbons are condensed with the sulfate tetrahedra and the lead cations. The latter are coordinated to eight oxygen atoms in a slightly anisotropic manner. Calculations of the electron localization function (ELF) of PbO (litharge), PbSO4 (anglesite) and PbCuSO4(OH)2 (linarite) show pronounced lone-pair character for PbO but rather isotropic ELF values around the lead cations in PbSO4 and PbCuSO4(OH)2.
Zeitschrift für Naturforschung B – de Gruyter
Published: Nov 25, 2021
Keywords: crystal structure; lead; linarite; lone pair; Mine du Pradet
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