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Mineralogical Magazine; April 1999; v. 63; no. 2; p. 263-266
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"Face-to-face" relationships between oxocentred tetrahedra and cation-centred tetrahedral oxyanions in crystal structures of minerals and inorganic compounds

S. V. Krivovichev, G. L. Starova, and S. K. Filatov

St. Petersburg State University, Department of Crystallography, St. Petersburg, Russian Federation

Detailed analysis of the crystal structures of minerals and inorganic compounds containing oxocentred [OCu 4 ] tetrahedra reveals the following principle for relationships between oxocentred tetrahedra and tetrahedral oxyanions (Tn+O4) (super -(8-n)) with T = S (super 6+) or V (super 5+) , or triangular pyramidal oxyanions (SeO 3 ) (super 2-) (which may be considered as (SeO 3 E) (super 2-) tetrahedra assuming the lone pair E of selenium to be a fourth ligand): (T (super n+) O4) (super -(8-n)) tetrahedra are attached' to the oxocentred tetrahedra so that their grounds (O-O-O and Cu-Cu-Cu) are parallel to each other and the mutual orientation is regular (O corners are exactly under Cu corners). We propose to describe these relationships as "face-to-face", meaning that the oxocentred and cation-centred tetrahedra "meet" along their "whole" triangular faces. Geometric characteristics of "face-to-face" relationships are discussed.

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