Iron stereochemistry in oxygen-containing compounds

Iron stereochemistry in oxygen-containing compounds The Voronoi-Dirichlet polyhedra (VDP) and the method of intersecting spheres were used to analyze the coordination of 1598 sorts of Fe atoms in the structure of 985 oxygen-containing compounds. The iron atoms whose oxidation number varies from 1 to 6 can coordinate 2 to 8 oxygen atoms in the crystal structure, giving rise to the FeOn coordination polyhedra shaped like square antiprisms (n = 8), octahedra or trigonal prisms (n = 6), square pyramids or trigonal bipyramids (n = 5), tetrahedra or squares (n = 4), triangles (n = 3), or dumbbells (n = 2). The effect of the valence state and the coordination number of iron on the VDP parameters was studied. A general linear correlation between the solid angles of the VDP faces corresponding to Fe-O bonds and the corresponding interatomic distances, which vary over a broad range (1.63–2.77 Å), was established. It is shown in relation to the A2Fe2O5 oxides (A = Ca, Sr) that VDP characteristics make it possible to reveal essential differences in the crystal structures even for isostructural compounds. The FeIVO6 octahedra, unlike isoelectronic MnIIIO6 or CrIIO6 octahedra, display no Jahn-Teller effect. In was shown in relation to CaFeO3 that VDP parameters can be used for the quantitative description of the charge disproportionation in the crystal structure. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Russian Journal of Coordination Chemistry Springer Journals

Iron stereochemistry in oxygen-containing compounds

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Publisher
Nauka/Interperiodica
Copyright
Copyright © 2006 by Pleiades Publishing, Inc.
Subject
Chemistry; Inorganic Chemistry; Physical Chemistry
ISSN
1070-3284
eISSN
1608-3318
D.O.I.
10.1134/S1070328406030043
Publisher site
See Article on Publisher Site

Abstract

The Voronoi-Dirichlet polyhedra (VDP) and the method of intersecting spheres were used to analyze the coordination of 1598 sorts of Fe atoms in the structure of 985 oxygen-containing compounds. The iron atoms whose oxidation number varies from 1 to 6 can coordinate 2 to 8 oxygen atoms in the crystal structure, giving rise to the FeOn coordination polyhedra shaped like square antiprisms (n = 8), octahedra or trigonal prisms (n = 6), square pyramids or trigonal bipyramids (n = 5), tetrahedra or squares (n = 4), triangles (n = 3), or dumbbells (n = 2). The effect of the valence state and the coordination number of iron on the VDP parameters was studied. A general linear correlation between the solid angles of the VDP faces corresponding to Fe-O bonds and the corresponding interatomic distances, which vary over a broad range (1.63–2.77 Å), was established. It is shown in relation to the A2Fe2O5 oxides (A = Ca, Sr) that VDP characteristics make it possible to reveal essential differences in the crystal structures even for isostructural compounds. The FeIVO6 octahedra, unlike isoelectronic MnIIIO6 or CrIIO6 octahedra, display no Jahn-Teller effect. In was shown in relation to CaFeO3 that VDP parameters can be used for the quantitative description of the charge disproportionation in the crystal structure.

Journal

Russian Journal of Coordination ChemistrySpringer Journals

Published: Mar 20, 2006

References

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