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

Adel Mesbah, Jai Prakash, Jessica C. Beard, Christos D. Malliakas, James A. Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


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) Å and c = 9.5310(2) Å (Ba7UTi2S12.5O0.5) and a = 16.1218(16) Å and c = 9.4103(11) Å (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.

Original languageEnglish (US)
Pages (from-to)293-295
Number of pages3
JournalMaterials Letters
StatePublished - Oct 1 2019


  • BaUVSO structure type
  • Crystal structure
  • Solid state chemistry
  • X-ray techniques

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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