TY - JOUR
T1 - Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies
AU - Alahmary, Fatimah S.
AU - Dey, Somnath
AU - Emwas, Abdul-Hamid M.
AU - Davaasuren, Bambar
AU - Rothenberger, Alexander
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledged KAUST grant number(s): BAS/1/1346-01-01
Acknowledgements: This work was supported by the King Abdullah University of Science and Technology (KAUST) baseline fund BAS/1/1346-01-01.
PY - 2018/10/25
Y1 - 2018/10/25
N2 - The first example of alkali/transition metal thioaluminates KCuAlS was synthesized and characterized. The compound crystallizes in the orthorhombic space group Pnna (no. 52), with unit cell parameters a = 5.471 (6) Å b = 5.468 (6) Å and c = 13.111 (1) Å within a pseudo-tetragonal lattice. Its crystal structure consists of 2D [CuAlS] polyanionic anti-PbO type layers, in which Al and Cu atoms share the atomic positions, separated by K cations. The (Cu/Al) atomic positions are tetrahedrally coordinated by S atoms, whereas K atoms are surrounded by eight S atoms in a cubic fashion. The coordination environments of the Al and K cations were confirmed by solid-state Al and K NMR, respectively. The title compound is a semiconductor with a direct bandgap of 2.96 eV, and thermally stable up to 550 °C.
AB - The first example of alkali/transition metal thioaluminates KCuAlS was synthesized and characterized. The compound crystallizes in the orthorhombic space group Pnna (no. 52), with unit cell parameters a = 5.471 (6) Å b = 5.468 (6) Å and c = 13.111 (1) Å within a pseudo-tetragonal lattice. Its crystal structure consists of 2D [CuAlS] polyanionic anti-PbO type layers, in which Al and Cu atoms share the atomic positions, separated by K cations. The (Cu/Al) atomic positions are tetrahedrally coordinated by S atoms, whereas K atoms are surrounded by eight S atoms in a cubic fashion. The coordination environments of the Al and K cations were confirmed by solid-state Al and K NMR, respectively. The title compound is a semiconductor with a direct bandgap of 2.96 eV, and thermally stable up to 550 °C.
UR - http://hdl.handle.net/10754/630609
UR - http://www.sciencedirect.com/science/article/pii/S0925838818339136
UR - http://www.scopus.com/inward/record.url?scp=85056167533&partnerID=8YFLogxK
U2 - 10.1016/j.jallcom.2018.10.239
DO - 10.1016/j.jallcom.2018.10.239
M3 - Article
VL - 776
SP - 1041
EP - 1047
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
SN - 0925-8388
ER -