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Syntheses and crystal structures of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds

Abstract Black single crystals of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds were obtained by standard solid-state chemistry method at 1123 K. Both compounds crystallize at 100 K in the Ba7UV2S12.5O0.5 structure type in… Click to show full abstract

Abstract Black single crystals of the Ba7UM2S12.5O0.5 (M = Ti, Si/Fe) compounds were obtained by standard solid-state chemistry method at 1123 K. Both compounds crystallize at 100 K in the Ba7UV2S12.5O0.5 structure type in space group I4/mcm of the tetragonal system with a = 16.1451(3) A and c = 9.5310(2) A (Ba7UTi2S12.5O0.5) and a = 16.1218(16) A and c = 9.4103(11) A (Ba7USi1.7Fe0.3S12.5O0.5). The crystal structures consist of infinite chains of U atoms octahedrally coordinated through the sharing of O/S corners along the c axis. The M atoms form isolated MS4 tetrahedra aligned also along the c axis. The space between US5O and MS4 polyhedra is filled by Ba atoms.

Keywords: structures ba7um2s12; crystal structures; ba7um2s12 5o0; chemistry; syntheses crystal; 5o0 compounds

Journal Title: Materials Letters
Year Published: 2019

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