Research output: Contribution to journal › Article › peer-review
Synthesis and Crystal structure of CsLnZnS3 (Ln= Ce, Pr, Nd, Sm, Gd, Tb, Ho). / Park, S. J.; Pomelova, T. A.; Kuratieva, N. V. et al.
In: Journal of Solid State Chemistry, Vol. 360, 126034, 08.2026.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Synthesis and Crystal structure of CsLnZnS3 (Ln= Ce, Pr, Nd, Sm, Gd, Tb, Ho)
AU - Park, S. J.
AU - Pomelova, T. A.
AU - Kuratieva, N. V.
AU - Syrokvashin, M. M.
AU - Naumov, N. G.
N1 - The work was supported by the Ministry of Science and Higher Education of the Russian Federation.
PY - 2026/8
Y1 - 2026/8
N2 - Layered chalcogenides adopting the KZrCuS3-type structure are of considerable interest due to their structural flexibility and tunable physical properties. In this work, new quaternary CsLnZnS3 (Ln = Ce, Pr, Nd, Sm, Gd, Tb, Ho) compounds were synthesized by the reaction of the corresponding metal sulfides and polysulfides in a molten cesium iodide flux. All obtained phases are isostructural, crystallizing in the KZrCuS3-type structure (space group Cmcm). Their structures comprise alternating {LnS6} octahedra and {ZnS4} tetrahedra, which share edges to form charged 2∞{LnZnS3}- layers separated by Cs+ cations. No S–S bonding was detected, confirming oxidation states of Cs1+Ln3+Zn2+S2−. Diffuse reflectance spectroscopy reveals wide band gaps (2.9–3.8 eV), consistent with semiconducting behavior. Raman spectra show systematic blue shifts of the Ln–S and Zn–S vibrational modes across the series, correlating with the lanthanoid contraction and structural data. The combination of structural stability and wide band gaps suggests that these materials may serve as promising host matrices for luminescence studies.
AB - Layered chalcogenides adopting the KZrCuS3-type structure are of considerable interest due to their structural flexibility and tunable physical properties. In this work, new quaternary CsLnZnS3 (Ln = Ce, Pr, Nd, Sm, Gd, Tb, Ho) compounds were synthesized by the reaction of the corresponding metal sulfides and polysulfides in a molten cesium iodide flux. All obtained phases are isostructural, crystallizing in the KZrCuS3-type structure (space group Cmcm). Their structures comprise alternating {LnS6} octahedra and {ZnS4} tetrahedra, which share edges to form charged 2∞{LnZnS3}- layers separated by Cs+ cations. No S–S bonding was detected, confirming oxidation states of Cs1+Ln3+Zn2+S2−. Diffuse reflectance spectroscopy reveals wide band gaps (2.9–3.8 eV), consistent with semiconducting behavior. Raman spectra show systematic blue shifts of the Ln–S and Zn–S vibrational modes across the series, correlating with the lanthanoid contraction and structural data. The combination of structural stability and wide band gaps suggests that these materials may serve as promising host matrices for luminescence studies.
KW - Chalcogenides
KW - Crystal structure
KW - Lanthanides
KW - Layered structure
KW - Optical properties
KW - Synthesis
UR - https://www.scopus.com/pages/publications/105035325174
UR - https://www.mendeley.com/catalogue/a6fd7c11-6028-3ac0-b856-cb1cc27d5eaa/
U2 - 10.1016/j.jssc.2026.126034
DO - 10.1016/j.jssc.2026.126034
M3 - Article
VL - 360
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
M1 - 126034
ER -
ID: 76299186