Abstract
Single crystal X-ray diffraction has shown that (YS) 1.23NbS 2 is a misfit layer compound, built of alternately {100} slices of rocksalt-type |YS| and sandwiches |NbS 2| with Nb in trigonal prisms of S, like Nb in 2H-NbS 2. The unit cell dimensions and space groups of the two sublattices |YS| and |NbS 2| in the composite crystal are |YS|: a 1 = 5.393(1) A ̊ , b 1 = 5.658(8) A ̊ , c 1 = 22.284(8) A ̊ , S.G. Fm2m, Z=8 |NbS 2|: a 2 = 3.322(1) Å, b 2 = 5.662(4) Å, c 2 = 11.13(2) Å, β 2 = 92.62(6)°, S.G. C2, Z = 2. The lattice vectors a 1 and a 2, b 1 and b 2 are parallel, | a 1| = | a 2|, | b 1| = | b 2| , while the stacking vectors c 1 and c 2 diverge slightly. Refinements converged to R F = 0.060 for the |YS| part, R F = 0.075 for the |NbS 2| part, and R F = 0.063 for the common part (0 kl reflections). Y is coordinated to S atoms on the vertices of a distorted square pyramid: YS = 2.764(4) Å (1 ×), 2.763(19) Å (1 ×), 2.996(19) Å (1 ×), 2.752(1) Å (2 ×). The |NbS 2| lattice shows disorder, the NbS distances are 2.473(8) Å.
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