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Synthesis, Structure, And Electronic And Physical Properties Of Tl2tes3, The First Characterized Thallium(I) Thiotellurate(Iv), Anja V. Mudring, Franziska Rieger
Synthesis, Structure, And Electronic And Physical Properties Of Tl2tes3, The First Characterized Thallium(I) Thiotellurate(Iv), Anja V. Mudring, Franziska Rieger
Anja V. Mudring
The crystal structure of Tl2TeS3 (orthorhombic, Pnma, No. 62, Z = 4, Pearson code oP24, a = 815.5(2) pm, b = 1352.6(6) pm, c = 596.48(15) pm, 600 unique reflections with Io > 2σ(Io), R1 = 0.0541, wR2 = 0.0997, GOF = 0.891, T = 298(2) K) in a new structure type has been determined. It can be understood as a LaI2-like arrangement of thallium cations and thiotellurite anions TeS32-. With a direct band gap of 1.61 eV and an indirect band gap of 0.9 eV, Tl2TeS3 is a new material that might be useful for thermoelectrical applications. The materials band …
Phase Transition In Tl2teo3: Influence And Origin Of The Thallium Lone Pair Distortion, Anja V. Mudring, Franziska Rieger
Phase Transition In Tl2teo3: Influence And Origin Of The Thallium Lone Pair Distortion, Anja V. Mudring, Franziska Rieger
Anja V. Mudring
A new modification of thallium tellurite, β-Tl2TeO3, has been synthesized by methanolothermal reaction, and its phase transition has been studied by single-crystal X-ray diffraction. At a temperature of 440(10) °C an irreversible phase transition from a monoclinic structure (β-Tl2TeO3: P21/c (No. 14), Z = 4, a = 8.9752(18) Å, b = 4.8534(6) Å, c = 11.884(2) Å, β = 109.67(2)°, V = 487.47(15) Å3 at 25 °C) to an orthorhombic structure (α-Tl2TeO3: Pban (No. 50), Z = 8, a = 16.646(2) Å, b = 11.094(2) Å, c = 5.2417(8) Å, V = 968.0(3) Å3 at 25 °C) is observed. Both …