Synthesis and Characterization of Multinary Selenides A4B10Se19 (A=Sn, Pb; B=Sb, Bi)

• Published in: Zeitschrift für anorganische und allgemeine Chemie (1950) Vol. 649; no. 6-7
• Main Authors: Chen, Guan‐Ruei, Shih, Mei‐Ting, Chen, Kuei‐Bo, Lee, Chi‐Shen
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 14.03.2023
• Subjects: Antimony; Bismuth; Crystal structure; Electronic structure; homologous series; Lead; main-group metal; Maximum power; multinary selenide; Power factor; Seebeck effect; Selenides; Selenium; Site preference (crystals); Temperature dependence; Tin
• ISSN: 0044-2313; 1521-3749
• DOI: 10.1002/zaac.202200271

Multinary selenides A4B10Se19 (A=Sn/Pb; B=Sb/Bi), including Sn4Bi10Se19, Pb4Sb6.71Bi3.29Se19, and Pb4Sb3.43Bi6.57Se19, were prepared by solid‐state reactions. These compounds adopt the Felbertalite structure type that crystallizes in the monoclinic space group C2/m (No. 12). Single‐crystal and powder X‐ray diffraction measurements studied the crystal structure and site preference of metal sites. They exhibit stacking of stepped layers ∞2M8Se13 ${{}_{\infty }{}^{2}\left[{M}_{8}{Se}_{13}\right]}$ (NaCl111‐type) and ribbon‐shape ∞1M6Se6 ${{}_{\infty }{}^{1}\left[{M}_{6}{Se}_{6}\right]}$ (NaCl100‐type) units that are connected via shared Se2− ions. Electronic structure calculations indicated semiconducting properties and were verified by temperature‐dependent conductivity and Seebeck coefficient measurements. The thermoelectric properties show a maximum power factor of 1.06 μW ⋅ m−1 ⋅ K−2 at 550 K for Pb4Sb6Bi4Se19.