Acta Crystallographica Section B

Structural Science

Volume 59, Part 4 (August 2003)

research papers

Acta Cryst. (2003). B59, 472-478 [ doi:10.1107/S0108768103011194 ]

Structural trends and the electronic structure of the rare-earth oxomolybdates RMo₅O₈ (R = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo₁₀ clusters

P. Gougeon, P. Gall, J.-F. Halet and R. Gautier

Abstract: The crystal structures of the rare-earth members of the series RMo₅O₈ (R = Ce to Eu) have been investigated and compared with those of the La and Gd members previously published in order to understand the influences of the size and the charge of the cation on the different Mo-Mo bonds. The RMo₅O₈ compounds crystallize in the monoclinic space group P2₁/c. Their crystal structure is characterized by bioctahedral Mo₁₀ clusters forming extended chains. The results of our single-crystal studies show that the modification of charge predominantly affects the Mo-Mo bonds between the Mo₁₀ clusters and, to a lesser extent, the intra-cluster distances, while the cationic size induces only small variations. Theoretical investigations confirm this statement and allow the understanding of the bonding mode in these compounds.

Keywords: rare-earth oxomolybdates; bioctahedral clusters; Mo₁₀ clusters; bonding mode.


	Structure factor file (CIF format) (166.8 kbytes) Contains datablock ce

	Structure factor file (CIF format) (167.3 kbytes) Contains datablock prmo5

	Structure factor file (CIF format) (166.9 kbytes) Contains datablock nd

	Structure factor file (CIF format) (166.5 kbytes) Contains datablock sm

	Structure factor file (CIF format) (166.9 kbytes) Contains datablock eu

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