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Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO 4 ] 2 .

Ingo HartenbachRobin F Hertweck
Published in: Acta crystallographica. Section E, Crystallographic communications (2024)
Coarse colorless single crystals of lithium lutetium bis-[orthomolybdate(VI)], LiLu[MoO 4 ] 2 , were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetra-gonal, space group I 4 1 / a ) with two formula units per unit cell. The Wyckoff position 4 b (site symmetry ) comprises a mixed occupancy of Li + and Lu 3+ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015 ▸). Dalton Trans. 44 , 18078-18089.] all atoms were refined with anisotropic displacement parameters.
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