Synthesis, crystal structure, and characterization of the new ordered hollandite-type NdMo{sub 6}O{sub 12}
- Univ. Rennes I (France). Lab. de Chimie du Solide et Inorganique Moleculaire
- Rider Coll., Lawrenceville, NJ (United States). Dept. of Chemistry
Single crystals of NdMo{sub 6}O{sub 12} were prepared by fused-salt electrolysis at 960 C from a melt of Rb{sub 2}MoO{sub 4}, MoO{sub 3}, and Nd{sub 2}O{sub 3} having the molar ratio 8.4:5:1. The compound crystallizes in the tetragonal space group I4/m with a = 9.8988(2) {angstrom}, c = 8.6434(5) {angstrom}, V = 846.93(5) {angstrom}{sup 3}, and Z = 4. The structure of NdMo{sub 6}O{sub 12} has been determined from single-crystal X-ray diffraction data and refined to reliability factors of R(F{sub o}) = 0.0409 and R{sub w}(F{sub o}{sup 2}) = 0.0612 for all the reflections (1282). NdMo{sub 6}O{sub 12} adopts a hollandite-related structure with a tripled c-axis. Within the double chains of edge-sharing MoO{sub 6} octahedra, the Mo atoms form infinite chains of Mo{sub 3} triangular clusters. Another dominant feature of the structure is the ordering of the Nd{sup 3+} cations within the channels delimited by the Mo-O double strings. NdMo{sub 6}O{sub 12} shows semiconducting behavior along the chains with an activation energy of 0.3 eV and a room-temperature resistivity of 0.49 {Omega}{center_dot}cm. The magnetic susceptibility data indicate paramagnetic behavior due to the Nd{sup 3+} moment at high temperature.
- OSTI ID:
- 642198
- Journal Information:
- Journal of Solid State Chemistry, Vol. 136, Issue 1; Other Information: PBD: 15 Feb 1998
- Country of Publication:
- United States
- Language:
- English
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