Abstract
The title compound, NpCuSe2, is the first ternary neptunium transition-metal chalcogenide. It was synthesized from the elements at 873 K in an evacuated fused-silica tube. Single crystals were grown by vapor transport with I2. NpCuSe2 crystallizes in the LaCuS2 structure type and can be viewed as a stacking of layers of CuSe4 tetrahedra and of double layers of NpSe7 monocapped trigonal prisms along [100]. Because there are no Se—Se bonds in the structure, the formal oxidation states of Np/Cu/Se may be assigned as +III/+I/−II, respectively.
Highlights
The title compound, NpCuSe2, is the first ternary neptunium transition-metal chalcogenide
Single crystals were grown by vapor transport with I2
NpCuSe2 crystallizes in the LaCuS2 structure type and can be viewed as a stacking of layers of CuSe4 tetrahedra and of double layers of NpSe7 monocapped trigonal prisms along [100]
Summary
Key indicators: single-crystal X-ray study; T = 100 K; mean (Cu–Se) = 0.001 A; R factor = 0.028; wR factor = 0.068; data-to-parameter ratio = 37.2. The title compound, NpCuSe2, is the first ternary neptunium transition-metal chalcogenide. It was synthesized from the elements at 873 K in an evacuated fused-silica tube. Single crystals were grown by vapor transport with I2. NpCuSe2 crystallizes in the LaCuS2 structure type and can be viewed as a stacking of layers of CuSe4 tetrahedra and of double layers of NpSe7 monocapped trigonal prisms along [100]. Because there are no Se—Se bonds in the structure, the formal oxidation states of Np/Cu/Se may be assigned as +III/+I/ÀII, respectively
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