• Marciniak, Bernard

Abstract

<jats:title>Abstract</jats:title><jats:p>Synthesis, structural characterization and chemical bonding peculiarities of two new quaternary selenides of the Tl<jats:sub>4</jats:sub>Sb<jats:sub>8</jats:sub>Sn<jats:sub>5</jats:sub>Se<jats:sub>24</jats:sub> and Tl<jats:sub>5</jats:sub>Sb<jats:sub>2</jats:sub>Sn<jats:sub>4</jats:sub>Se<jats:sub>14−x</jats:sub> (x = 0.5) are reported. The crystal structures of these compounds were determined by single crystal X-ray diffraction analysis. The Tl<jats:sub>4</jats:sub>Sb<jats:sub>8</jats:sub>Sn<jats:sub>5</jats:sub>Se<jats:sub>24</jats:sub> phase is a new structure type and crystallizes in the triclinic <jats:italic>P</jats:italic> 1̅ space group (<jats:italic>a = </jats:italic>7.9061(13) Å, <jats:italic>b = </jats:italic>13.9035(16) Å, <jats:italic>c = </jats:italic>21.4665(17) Å, α = 80.058(8)°, β = 84.727(10)°, γ = 73.542(12)°, w<jats:italic>R</jats:italic><jats:sub>2</jats:sub> = 0.0258, 8200 <jats:italic>F</jats:italic><jats:sup>2</jats:sup> values, 373 variables). The Tl<jats:sub>5</jats:sub>Sb<jats:sub>2</jats:sub>Sn<jats:sub>4</jats:sub>Se<jats:sub>14−x</jats:sub> (x = 0.5) phase represents a new structure type with a tetragonal unit cell (<jats:italic>P</jats:italic> 4<jats:italic>/mbm</jats:italic>, <jats:italic>a = </jats:italic>8.1570(10) Å, <jats:italic>c = </jats:italic>21.946(3) Å, w<jats:italic>R</jats:italic><jats:sub>2</jats:sub> = 0.0346, 1953 <jats:italic>F</jats:italic><jats:sup>2</jats:sup> values, 44 variables). Crystallographic analysis together with linear muffin-tin orbital band structure calculations reveals that both structures we conform to the concept of Zintl-Klemm and exhibit semiconductor properties.</jats:p>

Topics

• impedance spectroscopy
• compound
• single crystal X-ray diffraction
• single crystal
• phase
• semiconductor
• tin
• band structure
• space group