Synthesis and Characterization of New Multinary Selenides A10B18Se37 (A=Sn/Pb; B=In/Sb/Bi)

Guan Ruei Chen, Gang Lin, Kuei Bo Chen, Ming Fang Wang, Chi Shen Lee*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


New multinary selenides with general formula A10B18Se37 (A=Sn/Pb; B=In/Sb or Sb/Bi) were synthesized with a new structure type in the monoclinic space group C2/m (No. 12), including Sn10In7Sb11Se37, Sn10Bi18Se37, Sn8.21Pb1.79Bi18Se37, and Sn3.84Pb6.16Sb5.68Bi12.32Se37. The crystal structure is related to Proudite-Felbertalite homologous series and is made up of layered units (Formula presented.) derived from the octahedrally coordinated MSe6 with stepped layers of 16 octahedra overlapped by 8 octahedra units, and 1D ribbons (Formula presented.) with metal centers coordinated by 3 or 5 Se2− anions. Structural anisotropy leads to their layered shape and strong preferred orientation. The quinary selenide Sn3.84Pb6.16Sb5.68Bi12.32Se37 exhibits n-type semiconducting behavior and thermoelectric properties with an optimized thermoelectric figure of merit (zT) reaching ∼0.09 at 440 K. Density functional theory (DFT) calculation on a charge-balanced model with a triple supercell indicates its indirect band gap.

Original languageEnglish
Article numbere202200338
JournalEuropean Journal of Inorganic Chemistry
Issue number28
StatePublished - 11 Oct 2022


  • Density functional calculations
  • Electronic structure
  • Main group elements
  • Multinary selenides
  • Structure elucidation


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