TY  - JOUR
AU  - Alahmari, Fatimah
AU  - Dey, Somnath
AU  - Emwas, Abdul-Hamid
AU  - Davaasuren, Bambar
AU  - Rothenberger, Alexander
TI  - Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies
JO  - Journal of alloys and compounds
VL  - 776
SN  - 0925-8388
CY  - Amsterdam [u.a.]
PB  - ScienceDirect
M1  - FZJ-2019-00438
SP  - 1041 - 1047
PY  - 2019
AB  - The first example of alkali/transition metal thioaluminates K2Cu3AlS4 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 [Cu3AlS4]2- 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 27Al and 39K NMR, respectively. The title compound is a semiconductor with a direct bandgap of 2.96 eV, and thermally stable up to 550 °C
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000453826200119
DO  - DOI:10.1016/j.jallcom.2018.10.239
UR  - https://juser.fz-juelich.de/record/859589
ER  -