CuTiPS₅ – A New Structure Type with a Corrugated Layered Network Structure

Abstract

Abstract. The reaction of the binary sulfides TiS 2 and P 4 S 10 with the elements Cu and S for 10 h at 750°C and subsequent annealing at 550°C for 21 d result in the novel compound CuTiPS 5 , which crystallizes in the triclinic space group P1 with a = 6.8381(12), b = 6.9905(12), c = 14.612(3) Å, α = 90.057(6)°, β = 101.771(7)°, γ = 103.165(7)°, Z = 4, R 1 = 1.87 %, wR 2 = 4.74 % (all reflections) and represents the first quaternary copper titanium thiophosphate. The crystal structure contains 1 ϱ [Cu 2 Ti 2 (PS 4 ) 2 S 2 ] chains built from TiS 6 oc-

Disorder-Mediated Structural Transformation in the Cu4TiSe4–xSx (0 ≤ x ≤ 4) System and Its Effects on the Thermal Transport Property

“…Conspicuously, this newly appeared Cu–Ti distance (∼2.3 Å) is significantly shorter than the reported one in the Cu–Ti-based compounds (Table S7). − To avoid these short Cu–Ti contacts, these Ti atoms need to shift by (1/2 1/2 0) along the shaded ab -plane (as shown in Figure ). As a consequence, the unit cell changes from tetragonal (hypothetical) to cubic (experimental).…”

Synthesis and Characterization of the New Ternary Titanium Thiophosphate TiP2S7 and Comparison to Ti4P8S29

“…In the course of our systematic investigation of multinary titanium thiophosphates we found a third ternary compound, TiP 2 S 7 , with a slightly different composition but completely different crystal structure. Additionally we studied the known Ti 4 P 8 S 29 to investigate the disordered structure.…”

“…The second known compound, TiP 2 S 6 , consists solely of hexathiohypodiphosphate anions, P 2 S 6 4-, which contain a P-P bond and, thus, phosphorus in oxidation state +IV, with P persisting in tetrahedral surrounding of one P and three S atoms. [7] In the course of our systematic investigation of multinary titanium thiophosphates [8] we found a third ternary compound, TiP 2 S 7 , with a slightly different composition but completely different crystal structure. Additionally we studied the known Ti 4 P 8 S 29 to investigate the disordered structure.…”