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Crystals 2011, 1(4), 244-253; doi:10.3390/cryst1040244

Defect Scheelite-Type Lanthanoid(III) Ortho-Oxomolybdates(VI) Ln0.667[MoO4] (Ln = Ce, Pr, Nd, and Sm) and Their Relationship to Zircon and the NaTl-Type Structure

Institute for Inorganic Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
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Received: 14 October 2011 / Revised: 22 November 2011 / Accepted: 30 November 2011 / Published: 5 December 2011
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Abstract

The rare-earth metal(III) ortho-oxomolybdates with the formula Ln0.667[MoO4] (Ln = Ce, Pr, Nd, and Sm) and defect scheelite-type structure crystallize in the tetragonal space group I41/a (a = 533–525, c = 1183–1158 pm) with four formula units per unit cell. The Ln3+ cations at Wyckoff position 4b exhibit a coordination sphere of eight oxygen atoms in the shape of a trigonal dodecahedron. The same site symmetry (..) is observed for the tetrahedral oxomolybdate(VI) entities [MoO4]2–, since their central Mo6+ cation is situated at the 4a position. Due to this equal site multiplicity, the lanthanoid(III) cations have to be statistically under-occupied to maintain electroneutrality, thus a defect scheelite structure emerges. The partial structure of both the Ln3+ cations and the [MoO4]2– anions (if shrunk to their centers of gravity) can be best described as distorted diamond-like arrangements. Therefore, these two interpenetrating partial structures exhibit a similar setup as found in the zircon-type as well as in the NaTl-type structure. View Full-Text
Keywords: lanthanoids; ortho-oxomolybdates; scheelite-type; crystal structure lanthanoids; ortho-oxomolybdates; scheelite-type; crystal structure
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Schustereit, T.; Müller, S.L.; Schleid, T.; Hartenbach, I. Defect Scheelite-Type Lanthanoid(III) Ortho-Oxomolybdates(VI) Ln0.667[MoO4] (Ln = Ce, Pr, Nd, and Sm) and Their Relationship to Zircon and the NaTl-Type Structure. Crystals 2011, 1, 244-253.

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