Abstract

The crystal structure of jagoite (a = 8.528(8), c = 33.33(3)Å) was solved and refined in space group P62c to R1 = 0.057.

The structure is characterized by the presence of double and single tetrahedral layers connected by a sheet of iron and lead cations. Other lead cations as well as chloride anions are located inside the double layer. The single layer is characterized by an incomplete net of tetrahedra: the absent tetrahedron at the origin is replaced by the Fe(1) octahedron. The double layer is made up of two tetrahedral sheets, each of them built up of six membered rings of tetrahedra and PbO3ψ-tetrahedra.

The chemical data give rise to the following crystal chemical formula:  
(Pb3.432+Na1.33K0.57Ca0.71)Pb122+(Fe1.993+Ti0.09Mg1.00Mn0.84Ca0.08)(IIIPb42+Si25.09Be0.32Al0.66Fe3.933+)O79.81(OH)1.28(Cl)6.18.
The corresponding idealized crystal chemical formula is  
VIX6Pb122+VIM4(Si4T6)(Pb42+Si16T4)O78(O,OH)4Cl6.

The chemical and structural data suggest ordering of silicon and iron in tetrahedral sites and of iron, magnesium, and manganese in octahedral sites. Possible ordering schemes, in space group P31c, are proposed.

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