Abstract
La 2ThTaO 6Cl 3, a representative of a group of isostructural Ln 3MO 5XCl 3-type compounds with Ln ≡ La - Nd, Th, X ≡ O, OH, F and M ≡ Ta, Nb, crystallizes in the hexagonal space group P6 3 m with a = 9.3744(6) A ̊ and c = 5.4477(5) A ̊ . The structure was refined to give R = 2.51% and R w = 2.17%. The compound was prepared by the interaction of ThO 2, LaTaO 4 and LaCl 3. Single crystals were obtained by chemical transport reactions (1080 → 940 °C) using chlorine as the transport agent. The structure consists of TaO 6 polyhedra with an unusual trigonally prismatic environment for the Ta. La and Th are randomly distributed over the 6(h) sites with a coordination number CN = 10. A structure refinement for the isostructural Ce 3TaO 6Cl 3 led to a = 9.317(4) A ̊ , c = 5.356(3) A ̊ , R = 3.47% and R w = 2.73%. X-ray powder diffraction data are also reported.
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