Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 10 (October 2013)

inorganic compounds

Acta Cryst. (2013). E69, i67-i68    [ doi:10.1107/S1600536813025907 ]

Na3.88Mo15Se19: a novel ternary reduced molybdenum selenide containing Mo6 and Mo9 clusters

D. Salloum, P. Gougeon and P. Gall

Abstract: The structure of tetrasodium penta­deca­molybdenum nona­deca­selenide, Na3.88Mo15Se19, is isotypic with the In3+xMo15Se19 compounds [Grüttner et al. (1979). Acta Cryst. B35, 285-292]. It is characterized by two cluster units, Mo6Sei8Sea6 and Mo9Sei11Sea6 (where i represents inner and a apical atoms), that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c and have point-group symmetry -3 and -6, respectively. The clusters are inter­connected through additional Mo-Se bonds. In the title compound, the Na+ cations replace the trivalent as well as the monovalent indium atoms present in In3.9Mo15Se19. One Mo, one Se and one Na atom are situated on mirror planes, and two other Se atoms and one Na atom [occupancy 0.628 (14)] are situated on threefold rotation axes. The crystal studied was twinned by merohedry with refined components of 0.4216 (12) and 0.5784 (12).

CCDC reference: 962084

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