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Structure determination and electrical properties of a new misfit layered selenide [(PbSe)1.10NbSe2]

1993; Elsevier BV; Volume: 28; Issue: 3 Linguagem: Inglês

10.1016/0025-5408(93)90158-a

1873-4227

C. Auriel, R. Roesky, A. Meerschaut, J. Rouxel,

Solid-state spectroscopy and crystallography

The structure of the misfit layer compound (PbSe)1.10NbSe2 has been determined by single crystal X.ray diffraction. PbSe and NbSe2 layers alternating in the stacking direction c make up the structure. The PbSe layer forms approximately an NaCl structure type, whereas in NbSe2 the Nb atoms are located within slightly distorted trigonal prisms of selenium. Refinements were performed in the orthorhombic space groups Fm2m for PbSe and Cm2m for NbSe2 [PbSe : a1 = 6.202(3)Å, b = 6.058(1)Å, c = 24.952(9)Å; NbSe2 : a2 = 3.422(1)Å, b = 6.056(1)Å, c = 24.940(8)Å] and converged to Rf1 = 0.073 and Rf2 = 0.071, respectively.