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Structure of chromium trioxide

F. Hanic and D. Stempelov√°

Komensky University, Bratislava


Abstract: and Wilhelmi method (CA 45, 3679i), was used. The structure of CrO3 was detd. with (Fhk0)2 and (Fhkl)2 analyses and from the projections of electron ds. ρ(x,y) and ρ(y,z). Coeffs. F0kl were calcd. on the unequalities. The tetrahedral arrangement of 'end' atoms around Cr is deformed by the inclinations of OIII and OIV from the symmetry level in the opposite directions. With this inclination the bond angle OIII-Cr-OIV and the interat. distance of 'end' OIII-OIV is increased. The distance of Cr from the 'end' O atoms is 0.2 A. shorter than the distance of Cr from the O atoms bound into the chain. From the interat. distances and from the differences in the length of Cr-O bonds between Cr and 'bond' O on 1 side, and between Cr and 'end' O on the other side a covalent character for CrO4 tetrahdra is inferred. The structure of CrO3 can be expressed as a linear chain of alternating Cr and O atoms with 2 O atoms attached to the sides of each Cr atom. The reliance factor is 0.18 for the projection (001) and 0.22 for the projection (100).

Full paper in Portable Document Format: 143a165.pdf (in Slovak)


Chemical Papers 14 (3) 165–176 (1960)

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