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Title: Synthesis, crystal structure, and characterization of the new ordered hollandite-type NdMo{sub 6}O{sub 12}

Abstract

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.

Authors:
;  [1];  [2]
  1. Univ. Rennes I (France). Lab. de Chimie du Solide et Inorganique Moleculaire
  2. Rider Coll., Lawrenceville, NJ (United States). Dept. of Chemistry
Publication Date:
OSTI Identifier:
642198
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 136; Journal Issue: 1; Other Information: PBD: 15 Feb 1998
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CRYSTAL STRUCTURE; SYNTHESIS; NEODYMIUM OXIDES; MOLYBDENUM OXIDES; MONOCRYSTALS; X-RAY DIFFRACTION; ELECTRIC CONDUCTIVITY; MAGNETIC SUSCEPTIBILITY; EXPERIMENTAL DATA

Citation Formats

Tortelier, J, Gougeon, P, and McCarroll, W H. Synthesis, crystal structure, and characterization of the new ordered hollandite-type NdMo{sub 6}O{sub 12}. United States: N. p., 1998. Web. doi:10.1006/jssc.1997.7662.
Tortelier, J, Gougeon, P, & McCarroll, W H. Synthesis, crystal structure, and characterization of the new ordered hollandite-type NdMo{sub 6}O{sub 12}. United States. https://doi.org/10.1006/jssc.1997.7662
Tortelier, J, Gougeon, P, and McCarroll, W H. 1998. "Synthesis, crystal structure, and characterization of the new ordered hollandite-type NdMo{sub 6}O{sub 12}". United States. https://doi.org/10.1006/jssc.1997.7662.
@article{osti_642198,
title = {Synthesis, crystal structure, and characterization of the new ordered hollandite-type NdMo{sub 6}O{sub 12}},
author = {Tortelier, J and Gougeon, P and McCarroll, W H},
abstractNote = {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.},
doi = {10.1006/jssc.1997.7662},
url = {https://www.osti.gov/biblio/642198}, journal = {Journal of Solid State Chemistry},
number = 1,
volume = 136,
place = {United States},
year = {Sun Feb 15 00:00:00 EST 1998},
month = {Sun Feb 15 00:00:00 EST 1998}
}