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Attempts to synthesize the hypothetical anhydrous fluoroperovskite NaCdF3, which has been predicted to be stable, resulted instead in a hydrated fluoride of nominal composition NaCdF3·3H2O. It decomposes to sodium fluoride, cadmium fluoride, and water at 60 °C. Its structure has been determined by single-crystal X-ray diffraction. Na0.92(2)Cd1.08F3.08·2.92H2O crystallizes in the cubic space group with a = 8.2369(4) Å and Z = 4. The structure is based on the NaSbF6-type (an ordered variant of the ReO3-type) and features tilted sodium- and cadmium-centred octahedra that are linked by shared vertices to form a three-dimensional network. Substitutional disorder occurs on the nonmetal site, which is occupied by both F and O atoms, and on one of the metal sites, which is occupied by 92% Na and 8% Cd. A four-fold orientational disorder of the tilted octahedra is manifested as partial occupancy (25%) of the nonmetal site. A scheme to synthesize the anhydrous fluoride is presented.


Published in Materials Research Bulletin, 41(3), 667-673, 2006. Copyright © 2006, Materials Research Bulletin.

NOTICE: this is the author’s version of a work that was accepted for publication in Materials Research Bulletin. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Materials Research Bulletin, VOL #41, ISSUE#3, (2005)]