Na2.9KMo12S14: a novel quaternary reduced molybdenum sulfide containing Mo12clusters with a channel structure

Patrick Gougeon (1) , Philippe Gall (1) , Salloum Diala (2)

1 ISCR - Institut des Sciences Chimiques de Rennes
2 Faculty of Science III

The crystal structure of trisodium potassium dodecamolybdenum tetradecasulfide, Na2.9 (2)KMo12S14, consists of Mo12S14S6 cluster units interconnected through interunit Mo-S bonds and delimiting channels in which the Na+ cations are disordered. The cluster units are centered at Wyckoff positions 2d and have point-group symmetry 3.2. The K atom lies on sites with 3.2 symmetry (Wyckoff site 2c) between two consecutive Mo12S14S6 units. One of the three independent S atoms and one Na atom lie on sites with 3.. symmetry (Wyckoff sites 4e and 4f). The other Na atom occupies a 2b position with -3.. symmetry. The crystal studied was a merohedral twin with refined components of 0.4951 (13) and 0.5049 (13).

Mots clés: data-to-parameter ratio = 48.8; single-crystal X-ray study; disorder in main residue; R factor = 0.027; wR factor = 0.073; data-to-parameter ratio = 48.8.

Domaines: Matériaux; Chimie inorganique

Patrick Gougeon, Philippe Gall, Salloum Diala. Na2.9KMo12S14: a novel quaternary reduced molybdenum sulfide containing Mo12clusters with a channel structure. Acta Crystallographica Section E : Structure Reports Online [2001-2014], 2013, 69 (6), pp.i38-i38. ⟨10.1107/s1600536813013603⟩. ⟨hal-00847644⟩