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Crystal structure of mahnertite

¹ Geology Department, Moscow State University, 119899 Moscow Russia
² CCLRC Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD, UK
³ Département de Minéralogie du Muséum d'Histoire Naturelle de Genève, 1, route de Malagnou, CH-1208 Genève, Switzerland

^* E-mail: dmitp{at}geol.msu.ru

Mahnertite, (Na_0.88Ca_0.12)Cu_2.75[AsO₄]₂Cl_0.62·3.63 H₂O, M = 565.17, is tetragonal, with space group I4/mmm, a = 10.037(1), c = 23.739(1) Å, V = 2391.5(4) ų, Z = 8, _o = 3.32, _c = 3.14 g/cm³, µ = 9.78 mm^-1. The crystal structure of mahnertite was solved and refined against data collected at the Daresbury Synchrotron Radiation Source, using a 20 x 20 x 2 µm³ single crystal, = 0.6898 Å, F(000) = 2150, R = 0.049 for 639 reflections with I > 2(I). The structure consists of sheets parallel to (001), which comprise two symmetrically independent distorted Cu 5-vertex square pyramids Cu₅ ( =O, Cl or H₂O) as well as AsO₄ tetrahedra. Four Cu₅ pyramids located around the 4-fold axis share edges to form clusters linked by AsO₄ tetrahedra. The sheets are linked by the common apical vertex of the Cu(2)₅ polyhedra. As a result, a heterogeneous framework is formed. (Na,Ca) atoms, additional Cu(3) cations and H₂O molecules are located in the interlayers. The mineral is structurally related to zdenekite, NaPbCu₅(AsO₄)₄Cl·5H₂O.

Key-words: mahnertite, crystal structure, arsenate.

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