Mixed occupancy: the crystal structure of scheelite-type LiLuMoO42

Coarse colorless single crystals of lithium lutetium bis-orthomolybdate(VI), LiLuMoO42, 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 I41/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry ) comprises a mixed occupancy of Li+ and Lu3+ 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.