Abstract
The Voronoi–Dirichlet polyhedra (VDP) and the method of intersecting spheres were used to perform crystal-chemical analysis of 532 compounds containing 940 crystallographic sorts of titanium atoms in TiO n coordination polyhedra. It was found that Ti(IV) or Ti(III) atoms can coordinate four to eight oxygen atoms. For a constant valence state and a constant coordination number (C.N.) of titanium, the Ti–O bond lengths vary by 0.1–1.0 A. At C.N. #gt; 5, the volume of the metal VDP remains virtually unchanged; when the C.N. decreases to 4, the VDP volume increases by 2–3 A3. For a constant C.N., Ti(IV) → Ti(III) transition is accompanied by an increase in the VDP volume of metal atoms of 0.5–1.9 A3. The VDP characteristics of the Ti atoms can be used to determine their valence state and to identify the titanium–metal bonds in the structures of compounds.
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