High-temperature decomposition of Cu₂BaSnS₄ with Sn loss reveals newly identified compound Cu₂Ba₃Sn₂S₈

Abstract

The decomposition mechanism of Cu2BaSnS4 is studied by in situ diffraction and fluorescence analysis revealing “Sn loss” and Cu2Ba3Sn2S8 at high temperatures.

Structural, Optical, and Electronic Properties of Two Quaternary Chalcogenide Semiconductors: Ag2SrSiS4 and Ag2SrGeS4

“…The impurity phases can be identified by single-crystal XRD as Ag 2 Sr 3 Si 2 S 8 (for the Si-based compound) and by comparing calculated powder XRD patterns as Ag 2 Sr 3 Ge 2 S 8 (for the Ge-based compound, see Figure S5). These two new compounds are II-atom rich quaternary systems related to the previously reported Ag 2 Sr 3 Ge 2 Se 8 and Cu 2 Ba 3 Sn 2 S 8 and form in the cubic space group I 4̅3 d , as described for Ag 2 Sr 3 Si 2 S 8 in Table . As seen in Figure S5, a mixture of Ag 2 SrSiS 4 (Ag 2 SrGeS 4 ) and Ag 2 Sr 3 Si 2 S 8 (Ag 2 Sr 3 Ge 2 S 8 ) can account for all of the reflections seen in the experimental diffraction patterns of the samples prepared from stoichiometric starting reactions.…”

Cubic Crystal Structure Formation and Optical Properties within the Ag–BII–MIV–X (BII = Sr, Pb; MIV = Si, Ge, Sn; X = S, Se) Family of Semiconductors

“…We therefore tested the impact of the chosen lattice parameter on the calculated band gap of Ag 2 Sr 3 Sn 2 S 8 using DFT-HSE06+SOC. Specifically, we chose three specific unit cell dimensions (with relaxed internal atomic positions) that cover the observed range of lattice parameters among the different compounds studied here: − (1) the lattice parameter of Ag 2 Pb 3 Si 2 S 8 determined from single-crystal XRD measurements (13.9688 Å), (2) the lattice parameter of Ag 4 Sr 6 Sn 4 S 16 reported in the earlier study (14.2219 Å), and (3) the lattice parameter of Ag 2 Sr 3 Sn 2 S 8 from our present single-crystal XRD measurements (14.3704 Å). As the lattice parameter decreases from 14.3704 to 13.9688 Å, the value of the calculated lowest-energy direct band gap increases from 2.751 to 2.858 eV (see Table S15, which also includes k -space convergence data).…”

“…Alongside the A I 2 –B II –M IV –X 4 -type compounds is a related family of cubic materials that share the same grouping of elements, including compounds such as (Ag,Li) 0.5 Pb 1.75 GeS 4 , Cu 2 Ba 3 Sn 2 S 8 , Ag 4 Sr 6 (Ge,Sn) 4 (S,Se) 16 , , and Ag 2 Sr 3 Si 2 S 8 . These cubic semiconductors have been shown to have large second-harmonic generation responses and the potential for NLO applications that do not require phase-matching. , Within these two groups of semiconductorsi.e., the A I 2 –B II –M IV –X 4 and cubic A I –B II –M IV –X materialsthe Ag–Pb–Ge–S phase system is of particular note because it can readily exist in both groups.…”

Sn foil as the cathode for a reversible 2.8 V Sn-Li battery

“…1c, strong peaks corresponding to Sn (Sn L a , Sn L b , Sn K a , and Sn K b ), which are derived from Sn 2+ dissolved in the electrolyte solution during the charge process, can be observed. 23 The S K a signal comes from the TFSI − anion in the electrolyte. 24 Other possible elements such Li, C, O and F are too light to be detected by XRF.…”